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Chemical structure of SARS-CoV-2-IN-41

GC71308

SARS-CoV-2-IN-41

Also known as (8S)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-7-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide

SARS-CoV-2-IN-41 (compound 2) is a potent SARS-CoV-2 3CLpro inhibitor with an IC50 value of 0·022 µM

ChemicalCAS2920904-06-7MW549.63FormulaC22H30F3N5O4S2
CAS number
2920904-06-7
Molecular weight
549.63
Formula
C22H30F3N5O4S2
Solubility
DMSO ： 100 mg/mL (181·94 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
InChIKey
LQBRGTAIBBFUJJ-ZQDZILKHSA-N
Catalogue number
GC71308
Brand
GLPBIO
Computed properties PubChem CID 168476146 · XLogP 2.1 · TPSA 182 Ų · H-bond donors 3
XLogP
2.1
TPSA
182 Ų
H-bond donors
3
H-bond acceptors
10
Rotatable bonds
7
Heavy atoms
36

SMILES CC(C)(C)[C@@H](C(=O)N1CC2(C[C@H]1C(=O)N[C@@H](C[C@@H]3CCNC3=O)C#N)SCCS2)NC(=O)C(F)(F)F

Computed descriptors from PubChem (CID 168476146), 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.
Who we serve
Universities, hospitals and biotech companies across Israel. Research use only — not for diagnostic or therapeutic use.