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Chemical structure of CK1-IN-2

GC73500

CK1-IN-2

Also known as 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7H-furo[3,4-b]pyridin-5-one

CK1-IN-2 (compound Nr·4) is a potent CK1 inhibitor with an IC50 values of 123, 19·8, 26·8, 74·3 nM for CK1a, CK1d, CK1e, p38a, respectively

ChemicalCAS1383376-92-8MW309.29FormulaC17H12FN3O2
CAS number
1383376-92-8
Molecular weight
309.29
Formula
C17H12FN3O2
Solubility
DMSO ： 50 mg/mL (161·66 mM; ultrasonic and warming and heat to 60°C)
InChIKey
XISSYJGQGSMWHO-UHFFFAOYSA-N
Catalogue number
GC73500
Brand
GLPBIO
Computed properties PubChem CID 67971821 · XLogP 2 · TPSA 57 Ų · H-bond donors 0
XLogP
2
TPSA
57 Ų
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
23

SMILES CN1C=C(C(=N1)C2=CC=C(C=C2)F)C3=C4C(=NC=C3)COC4=O

Computed descriptors from PubChem (CID 67971821), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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