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Chemical structure of X77

GC62512

X77

Also known as N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide

X77 is a potent non-covalent inhibitor of the main protease of SARS-CoV-2 (SARS-CoV-2 Mpro)

ChemicalCAS2455518-33-7MW459.58FormulaC27H33N5O2
CAS number
2455518-33-7
Molecular weight
459.58
Formula
C27H33N5O2
Solubility
DMSO ： 100 mg/mL (217·59 mM; Need ultrasonic)
InChIKey
MUNFBYOTGGMQOS-XMMPIXPASA-N
Catalogue number
GC62512
Brand
GLPBIO
Computed properties PubChem CID 145998279 · XLogP 4.9 · TPSA 91 Ų · H-bond donors 2
XLogP
4.9
TPSA
91 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
34

SMILES CC(C)(C)C1=CC=C(C=C1)N([C@H](C2=CN=CC=C2)C(=O)NC3CCCCC3)C(=O)C4=CN=CN4

Computed descriptors from PubChem (CID 145998279), 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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