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Chemical structure of K284-6111

GC73144

K284-6111

Also known as 2-[3-[2-(cyclohexen-1-yl)ethyl]-6,7-dimethoxy-4-oxoquinazolin-2-yl]sulfanyl-N-(4-ethylphenyl)butanamide

K284-6111 is an orally active inhibitor for protein chitinase 3-like 1 (CHI3L1)

ChemicalCAS702668-62-0MW535.7FormulaC30H37N3O4S
CAS number
702668-62-0
Molecular weight
535.7
Formula
C30H37N3O4S
Solubility
DMSO ： 2 mg/mL (3·73 mM; ultrasonic and warming and heat to 60°C)
InChIKey
FMKHSHNIKAKCRV-UHFFFAOYSA-N
Catalogue number
GC73144
Brand
GLPBIO
Computed properties PubChem CID 4077454 · XLogP 6.4 · TPSA 106 Ų · H-bond donors 1
XLogP
6.4
TPSA
106 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
11
Heavy atoms
38

SMILES CCC1=CC=C(C=C1)NC(=O)C(CC)SC2=NC3=CC(=C(C=C3C(=O)N2CCC4=CCCCC4)OC)OC

Computed descriptors from PubChem (CID 4077454), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
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