It is generally accepted that chemical diversity leads to diversity in bioactivity, hence majority high-throughput screening screening (HTS) efforts utilize compounds that are selected for being as unlike each other as possible. ALL Chemistry selects compounds with reliable quality and good drug diversity, and a diversity compound library with high cost performance was constructed. ALL Chemistry has accumulated rich experience in library construction. If you plan to build a high-throughput screening compound library, please feel free to contact us.
Introduction of Diversity Compound Library
The molecular structure diversity of compound library is the basis of realizing its biological activity diversity. The diversity compound library contains compounds with various substituents, functional groups, stereochemistry and skeletons, which occupy a wide "chemical space", which is beneficial for researchers to discover the biological effects of diversity. The compounds in the library have drug-like properties, and all of them have been screened, which eliminates inappropriate chemical structures and avoids "target error", and can be widely used in high-throughput screening (HTS) and high content screening (HCS). For target classes with limited number of known active chemotypes or for phenotypic assays, structural diversity in screening libraries is strictly recommended, as this can increase the chances of detecting multiple promising scaffolds for further development a wide spectrum of assays.
The diversity-based libraries are especially useful in phenotypic screening where particular attention is paid to physicochemical parameters of compounds to optimize their solubility and cell permeability. In contrast to diversity-based libraries, there are screening libraries that are intended for well-studied targets, such as protein kinases, GPCRs, nuclear receptors etc. Using structure-based and/or ligand-based approach, focused libraries can be selected from larger diversity libraries to be enriched with active chemotypes. This type of libraries usually provides higher hit rates, however, may not effectively cover a diverse chemical space.
Fig.1 The molecular diversity spectrum
(https://www.nature.com/articles/ncomms1081)
Classification of Diversity Compound Library
--50K Diversity Library: The 50K Diversity Library is a collection of fifty thousand diverse compounds. This library is designed to provide a wide range of chemical structures to meet various research needs. The compounds encompass different chemical categories and structural types, including organic compounds, inorganic compounds, and natural products. Each cluster of compounds is guaranteed to have multiple functional groups, so as to realize the novelty and drug-like properties of the compound library with multiple substituents, functional groups, stereochemistry and structure, various structural types of compounds and rich chemical space, and the compounds in the library can be repeatedly supplied.
--5K Scaffold Library: The 5K Scaffold Library consists of five thousand scaffold compounds. This library aims to offer a range of fundamental chemical structures that serve as building blocks for further compound synthesis. The scaffolds provide a solid foundation for the development of novel molecules with desired properties. All the compounds have drug-like properties, conform to "Lipinski Five Rules", and have moderate molecular weight, which is convenient for subsequent modification. It has many characteristics, such as good theoretical solubility, good oral bioavailability and good drug transport.
--3D Diverse Fragment Library: The 3D diversified fragment library consists of 5,196 non-artistic fragment molecules (average Fsp3 value is 0.58), and more than 4,700 fragments contain at least one chiral center. The 3D Diverse Fragment Library is a collection of three-dimensional fragments that represent small chemical substructures. This library is designed to provide a diverse set of fragments with unique three-dimensional shapes. These fragments serve as valuable starting points for fragment-based drug discovery and lead optimization. By utilizing the 3D Diverse Fragment Library, researchers gain access to a wide range of fragment options to explore the chemical space and identify potential hits for further development.
Diversity Compound Library at ALL Chemistry
At present, there are 50 million commercialized compounds in the world. We have selected products with reliable quality and good variety of drugs to provide customers with experimental samples and form a library of drug-like compounds with high cost performance. It is proved that a diverse compound library is the most successful and straightforward starting point to find new leads. Moreover, it is the best way to enhance the research compound collections by adding new substances with different chemotypes. ALL Chemistry can provide 50K Diversity Library (50,000 compounds) and 5K Scaffold Library (5,000 compounds) which are an ideal starting library for phenotypic and target-based HTS. If you have plans to build a high-throughput screening compound library, please feel free to contact our technical support.
Advantages of Our Services
-- Strict Quality Control: HNMR/LCMS/HPLC spectrogram is attached with the goods, which meets the purity requirements of drug screening.
-- Strong Ability of Repeated Supply: it is convenient to buy again, and all compounds are in powder stock, which can quickly provide you with repeated experimental products.
-- Safety and Effective: all compounds are confirmed by literature, patent reports and clinical research.
-- Good Target Diversity: it covers a variety of targets related to anti-tumor and anti-virus, and is suitable for a variety of screening purposes of different targets;
-- Guarantee integrity with small molecules covering a wide range of pharmacological targets and research areas.
-- Strong Drug-like Properties: all compounds are screened and filtered according to the five principles of drug-like properties, and reactive substances and toxic compounds are eliminated to ensure the speed of follow-up research;
Project Workflow
Evaluation → Experiment Design → Formal Quotation → Custom Diversity Compound Library Service → Results → Delivery
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