2. 一站式药筛
  3. 化合物库
  4. 5K 骨架库
5K 骨架库 - 5K Scaffold Library

Cat. No.: HY-L902

MCE 5K Scaffold Library 由 5,000 种类药化合物组成，每种化合物代表一种结构骨架，最大程度保证了库的结构多样性。所有化合物均具有类药性，符合“Lipinski 五规则”，分子量适中（300 < MW < 500），便于后续修饰；具备理论溶解度良好（-3.2 < logP < 5）、口服生物利用度好（RotB <= 10）、药物转运性佳（2.5 < PSA < 120）等多重特质。库中的化合物均经过 MedChem & PAINS filters 筛选，剔除了不合适的化学结构，避免“目标错误”。本库化合物数量少但结构足够多样，是药物筛选的有力工具。

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

Biological Activity

•    Maximum structural diversity.

•    Each compound represents one unique scaffold. 5,000 unique scaffods (Bemis-Murcko) totally.

•   Compatible with Lipinski’s rule (Rule of 5), 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.

•   All 5,000 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

•    Maximum structural diversity.

•    Each compound represents one unique scaffold. 5,000 unique scaffods (Bemis-Murcko) totally.

•   Compatible with Lipinski’s rule (Rule of 5), 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.

•   All 5,000 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.

产品资料

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联系专家定制
  • 96-well Plate with Peelable Foil Seal
  • 384-well Microplate with Peelable Foil Seal
  • 96-well Storage Tubes with Rack
  • 96-well Plate with Peelable Foil Seal
  • 384-well Microplate with Peelable Foil Seal
  • 96-well Storage Tubes with Rack

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