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Chemical structure of HBC514

GC39621

HBC514

Also known as 4-[(Z)-1-cyano-2-[4-[2-(dimethylamino)ethyl-methylamino]phenyl]ethenyl]benzonitrile

Dimethylenastron is a potent kinesin Eg5 inhibitor, with an IC50 of 200 nM

ChemicalCAS2530161-67-0MW330.43FormulaC21H22N4
CAS number
2530161-67-0
Molecular weight
330.43
Formula
C21H22N4
Solubility
DMSO： 25 mg/mL (75·66 mM)
InChIKey
BCLYGBLOTWSFBR-XSFVSMFZSA-N
Catalogue number
GC39621
Brand
GLPBIO
Computed properties PubChem CID 146047143 · XLogP 3.6 · TPSA 54.1 Ų · H-bond donors 0
XLogP
3.6
TPSA
54.1 Ų
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
25

SMILES CN(C)CCN(C)C1=CC=C(C=C1)/C=C(\C#N)/C2=CC=C(C=C2)C#N

Computed descriptors from PubChem (CID 146047143), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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