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Chemical structure of SARS-CoV-2 3CLpro-IN-2

GC65943

SARS-CoV-2 3CLpro-IN-2

Also known as 2-[4-[4-(difluoromethoxy)-2-methylanilino]-2,6-dioxo-3-[(3,4,5-trifluorophenyl)methyl]-1,3,5-triazin-1-yl]-N-methylacetamide

SARS-CoV-2 3CLpro-IN-2 (Compound 1) is a potent inhibitor of 3CL protease· SARS-CoV-2 3CLpro-IN-2 has the potential for the research of SARS-CoV-2 diseases

ChemicalCAS2765088-93-3MW499.39FormulaC21H18F5N5O4
CAS number
2765088-93-3
Molecular weight
499.39
Formula
C21H18F5N5O4
Solubility
DMSO ： 100 mg/mL (200·24 mM; Need ultrasonic)
InChIKey
JHDIUUFGPILEJO-UHFFFAOYSA-N
Catalogue number
GC65943
Brand
GLPBIO
Computed properties PubChem CID 162533922 · XLogP 3.3 · TPSA 103 Ų · H-bond donors 2
XLogP
3.3
TPSA
103 Ų
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
8
Heavy atoms
35

SMILES CC1=C(C=CC(=C1)OC(F)F)NC2=NC(=O)N(C(=O)N2CC3=CC(=C(C(=C3)F)F)F)CC(=O)NC

Computed descriptors from PubChem (CID 162533922), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Pricing
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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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Universities, hospitals and biotech companies across Israel. Research use only — not for diagnostic or therapeutic use.