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Chemical structure of K 858

GC16167

K 858

Also known as N-(4-acetyl-5-methyl-5-phenyl-1,3,4-thiadiazol-2-yl)acetamide

K858 Racemic is an ATP-uncompetitive inhibitor of kinesin Eg5 with an IC50 of 1·3 μM

ChemicalCAS72926-24-0MW277.34FormulaC13H15N3O2S
CAS number
72926-24-0
Molecular weight
277.34
Formula
C13H15N3O2S
Solubility
DMF： 25 mg/ml,DMSO： 30 mg/ml,DMSO：PBS (pH 7·2) (1：4)： 0·20 mg/ml
InChIKey
JEFVYQYZCAVNTP-UHFFFAOYSA-N
Catalogue number
GC16167
Brand
GLPBIO
Computed properties PubChem CID 2930014 · XLogP 1.6 · TPSA 87.1 Ų · H-bond donors 1
XLogP
1.6
TPSA
87.1 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
19

SMILES CC(=O)NC1=NN(C(S1)(C)C2=CC=CC=C2)C(=O)C

Computed descriptors from PubChem (CID 2930014), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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