Fragmentlibraries
Fragment program at ChemDiv is aimed to address another approach in drug discovery – “fragment-based” drug design (FBDD). The immediately available fragment library includes 10,000+ structures. Those were selected from 1.2+ Mio collection and produced as the result of internal design & synthetic effort in consideration of the following guidelines:
• Widely accepted Astex Rule of Three[1] (MW ≤ 300, H-bond donors ≤ 3, H-bond acceptors ≤ 3, cLogP ≤ 3)
• The tagged fragments may contain only C, H, N, O, S, P, F, Cl, and Br atoms
• The tagged fragments must be chemically feasible for follow up linking and/or expansion
• The tagged fragments comply with internal medicinal chemistry filters (this way undesirable moieties, such as Michael acceptors, can be removed upfront)
• Add-ons of structures with fragment-“friendly” features, such as:
- NMR screening compatibility (chemical shifts of protons to be in the 0 – 12 range evenly; possession of both alkyl & aromatic protons, or “marker atoms”, e.g. F)
- X-ray screening compatibility (heavy atoms)
As with any other “classical” small molecules library, the data base with immediately available fragments can be provided (as MDL structure-data files (SDfiles) or ISIS Database (db) files) for follow up selection and ordering. The fragments can be dispensed in mg or micromolar amounts and delivered in a variety of formats (plates or vials, as dry powders or DMSO solutions).
Off-the-Shelf Fragment Library
Custom Fragment Generation
Expansion on Active Fragments
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上海陶术生物科技有限公司为美国Target Molecule Corp. ( Target Mol ) 在上海建立的全资子公司。我们与美国波士顿、德国慕尼黑的同事一起,为北美、欧洲和亚洲从事药物研发和生物学研究的科学家提供优质的产品和专业的服务。公司下设筛选事业部,化学事业部,生物事业部和新材料部。
从虚拟筛选到实体化合物分子供应;从商业化产品销售到个性化定制合成;从对明确靶点的分子筛选到对明确分子的多靶点筛选,从高通量筛选到化学结构优化,我们都可以满足您的科研用品及技术服务的需求。
经过在中国市场五年的精心耕耘,我们已成为筛选化合物领域优秀的供应商,为超过五百家学校和各类企业提供了品质卓越的小分子化合物和药物筛