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Chemical structure of KL044

GC63033

KL044

Also known as 2-carbazol-9-yl-N-(2-chloro-6-cyanophenyl)acetamide

KL044, a stabilizer of the clock protein cryptochrome (CRY) , is a potent chemical probe with a pEC50 value of 7·32, leading to the extension of the circadian period and repression of Per2 activity

ChemicalCAS1801856-93-8MW359.81FormulaC21H14ClN3O
CAS number
1801856-93-8
Molecular weight
359.81
Formula
C21H14ClN3O
Solubility
DMSO ： 100 mg/mL (277·92 mM; Need ultrasonic)
InChIKey
ZDAKKNHUWVTCRS-UHFFFAOYSA-N
Catalogue number
GC63033
Brand
GLPBIO
Computed properties PubChem CID 91827381 · XLogP 5.2 · TPSA 57.8 Ų · H-bond donors 1
XLogP
5.2
TPSA
57.8 Ų
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
26

SMILES C1=CC=C2C(=C1)C3=CC=CC=C3N2CC(=O)NC4=C(C=CC=C4Cl)C#N

Computed descriptors from PubChem (CID 91827381), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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