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Chemical structure of CK1-IN-1

GC34536

CK1-IN-1

Also known as 4-[2-(1-fluoronaphthalen-2-yl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine

CK1-IN-1 is a casein kinase 1 (CK1) inhibitor extracted from patent WO2015119579A1, compound 1c, has IC50s of 15 nM, 16 nM, 73 nM for CK1δ, and CK1ε, p38σ MAPK, respectively

ChemicalCAS1784751-20-7MW383.39FormulaC24H15F2N3
CAS number
1784751-20-7
Molecular weight
383.39
Formula
C24H15F2N3
Solubility
DMSO : 62·5 mg/mL (163·02 mM);Water : < 0·1 mg/mL (insoluble)
InChIKey
PUQAFIILJICJRR-UHFFFAOYSA-N
Catalogue number
GC34536
Brand
GLPBIO
Computed properties PubChem CID 118303686 · XLogP 5.4 · TPSA 41.6 Ų · H-bond donors 1
XLogP
5.4
TPSA
41.6 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
29

SMILES C1=CC=C2C(=C1)C=CC(=C2F)C3=NC(=C(N3)C4=CC=NC=C4)C5=CC=C(C=C5)F

Computed descriptors from PubChem (CID 118303686), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Pricing
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Documents
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