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

    美國(guó)ChemDiv公司已經(jīng)有20年的歷史，目前在全球擁有超過(guò)1500名高端客戶。占到全球市場(chǎng)份額的40%。公司致力于為藥物發(fā)現(xiàn)，制藥和生物技術(shù)發(fā)展的合作伙伴提供創(chuàng)新性解決方案；努力讓工業(yè)和學(xué)術(shù)研究進(jìn)行更好的融合，為威脅生命的疾病帶來(lái)新的解決方法。公司擁有全球的小分子化合物庫(kù)，除了目前庫(kù)存的125萬(wàn)種化合物以外，每年以15萬(wàn)種新化合物的速度遞增。陶素（topscience）作為美國(guó)chemdiv在中國(guó)的獨(dú)家代理商，旨在為科研人員提供最專(zhuān)業(yè)的藥物篩選服務(wù)和質(zhì)量可靠的篩選化合物供應(yīng)。