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  2. 化合物库
  3. 50K Diversity Library
50K Diversity Library - 50K Diversity Library

Cat. No.: HY-L901

MCE 50K Diversity Library 由 50,000 种类药化合物组成。依据谷本相似性(Tanimoto Coefficient)及聚类算法(Bemis-Murcko)对上百万化合物进行筛选以确保结构多样性。优选的 5 万化合物平均谷本相似数为 0.52,共包含 36,857 个化合物簇且每簇仅包含 1-7 个化合物。除此之外,确保每簇化合物具有尽可能多的官能团,从而实现化合物库取代基、官能团、立体化学、骨架多样,占据广泛的“化学空间”。本多样性库具备新颖性、类药性,化合物结构类型多样、化学空间丰富,库中化合物可重复供应,是新药研发的有力工具,可以广泛地应用于高通量筛选(HTS)和高内涵筛选(HCS)。

  • 96-well Plate with Peelable Foil Seal
  • 384-well Microplate with Peelable Foil Seal
  • 96-well Storage Tubes with Rack
- +

Compound Screening Libraries

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描述&特点

Biological Activity

• Compounds in this library were selected by dissimilarity search (Tanimoto coefficient of 0.52) to provide a higher variety and broader chemical space coverage.

• 36,857 unique scaffolds (Bemis-Murcko) and each scaffold 1 to 7 compounds.

• Compatible with “Lipinski’s Rule of Five”, with multiple characteristics such as calculated good solubility (-3.2<logP<5), oral bioavailability (RotB<=10), drug transportability (PSA < 120), MW between 300 to 500, number of Hydrogen Bond Donor (HBD)≤5, number of Hydrogen Bond Acceptor (HBA)≤10.

• Passed all associated MedChem filters, particularly pan assay interference compound (PAINS) motifs, to remove any inappropriate chemical structures and avoid false hits.

• Compounds with the same scaffold have as many functional groups as possible to ensure the diverse chemical spaces.

• All 50,000 compounds are available off the shelf. Pre-plates of 10 mM DMSO solutions, convenient to use.

• NMR and HPLC validated to ensure high purity and quality.

产品详情

Product Details

Formulation: A collection of 50,000 lead-like compounds supplied as pre-dissolved solutions.

Solution: 50,000 compounds supplied in 10 mM solution.

Container: 96- or 384-well Plate with Peelable Foil Seal; 96-well Format Sample Storage Tube with Screw Cap and Optional 2D Barcode.

Storage: -80°C

Shipping: Blue ice

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  • 96-well Plate with Peelable Foil Seal
  • 384-well Microplate with Peelable Foil Seal
  • 96-well Storage Tubes with Rack

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    产品名称:
    50K Diversity Library
    目录号:
    HY-L901
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