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Chemical structure of Casein Kinase II Inhibitor IV

GC30276

Casein Kinase II Inhibitor IV

Also known as 3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanenitrile

Casein Kinase II Inhibitor IV is a potent, ATP-competitive of casein kinase II inhibitor with an IC50 of 9 nM

ChemicalCAS863598-09-8MW429.47FormulaC24H23N5O3
CAS number
863598-09-8
Molecular weight
429.47
Formula
C24H23N5O3
Solubility
DMSO ： ≥ 250 mg/mL (582·11 mM)
InChIKey
KKVZKYOBQGDKIB-UHFFFAOYSA-N
Catalogue number
GC30276
Brand
GLPBIO
Computed properties PubChem CID 11453158 · XLogP 4 · TPSA 94.2 Ų · H-bond donors 1
XLogP
4
TPSA
94.2 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
32

SMILES COC1=CC(=CC(=C1OC)OC)NC2=NC=C3C=CN(C3=N2)C4=CC=CC(=C4)CCC#N

Computed descriptors from PubChem (CID 11453158), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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