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Chemical structure of CCF0058981

GC63779

CCF0058981

Also known as 2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[4-(1H-imidazol-5-yl)phenyl]acetamide

CCF0058981 (CCF981), 3-chlorophenyl analogue, is a noncovalent SARS-CoV-2 3CLpro (SC2) inhibitor with an IC50 of 68 nM

ChemicalCAS2708934-53-4MW442.9FormulaC24H19ClN6O
CAS number
2708934-53-4
Molecular weight
442.9
Formula
C24H19ClN6O
Solubility
DMSO ： 25 mg/mL (56·45 mM; ultrasonic and adjust pH to 2 with HCl)
InChIKey
NQTRFDLUODRJKC-UHFFFAOYSA-N
Catalogue number
GC63779
Brand
GLPBIO
Computed properties PubChem CID 156027237 · XLogP 4.2 · TPSA 79.7 Ų · H-bond donors 1
XLogP
4.2
TPSA
79.7 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
32

SMILES C1=CC=C2C(=C1)N=NN2CC(=O)N(CC3=CC(=CC=C3)Cl)C4=CC=C(C=C4)C5=CN=CN5

Computed descriptors from PubChem (CID 156027237), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
Ships from the manufacturer to your lab in 8–14 business days; customs and cold chain handled by LABO Scientific.
Pricing
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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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