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Chemical structure of DJ4

GC72959

DJ4

Also known as 2-(2-phenylethylamino)-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1,3-thiazol-4-ol

DJ4 is a ATP-competitive inhibitor of ROCK1/2 (IC50 values:5 and 50 nM) and MRCKα/β (IC50 values:10 and 100 nM)

ChemicalCAS1681020-24-5MW348.42FormulaC19H16N4OS
CAS number
1681020-24-5
Molecular weight
348.42
Formula
C19H16N4OS
Solubility
DMSO ： 10 mg/mL (28·70 mM; ultrasonic and warming and heat to 60°C)
InChIKey
BGDWYKUGZZKWEZ-UHFFFAOYSA-N
Catalogue number
GC72959
Brand
GLPBIO
Computed properties PubChem CID 172418634 · XLogP 3.7 · TPSA 98.6 Ų · H-bond donors 2
XLogP
3.7
TPSA
98.6 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
25

SMILES C1=CC=C(C=C1)CCNC2=NC(=C(S2)C=C3C=NC4=C3C=CC=N4)O

Computed descriptors from PubChem (CID 172418634), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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