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Chemical structure of DS-1001b

GC39157

DS-1001b

Also known as (E)-3-[1-[5-(2-fluoropropan-2-yl)-3-(2,4,6-trichlorophenyl)-1,2-oxazole-4-carbonyl]-3-methylindol-4-yl]prop-2-enoic acid;2-methylpropan-2-amine

An inhibitor of mutant IDH1

ChemicalCAS1898207-64-1MW608.92FormulaC29H29Cl3FN3O4
CAS number
1898207-64-1
Molecular weight
608.92
Formula
C29H29Cl3FN3O4
Solubility
DMSO： 29 mg/mL (47·63 mM)
InChIKey
UPPAAWQBZQBNIE-USRGLUTNSA-N
Catalogue number
GC39157
Brand
GLPBIO
Computed properties PubChem CID 139600317 · TPSA 111 Ų · H-bond donors 2 · H-bond acceptors 7
TPSA
111 Ų
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
40

SMILES CC1=CN(C2=CC=CC(=C12)/C=C/C(=O)O)C(=O)C3=C(ON=C3C4=C(C=C(C=C4Cl)Cl)Cl)C(C)(C)F.CC(C)(C)N

Computed descriptors from PubChem (CID 139600317), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
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