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GRL-0820

CAT: 0013-GTR19210483-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210483-01Size:1 mg
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Description
GRL-0820 (SARS-CoV-2-IN-6) is a potent and selective inhibitor of the SARS-CoV-2 3CL protease, a key viral enzyme essential for replication. This small molecule is a valuable research tool for studying coronavirus infection mechanisms and has demonstrated antiviral activity in both in vitro enzymatic assays and cellular infection models.
CAS Number
2725749-22-2
Product Name Alternative
GRL 0820, GRL0820, GRL-0820, SARSCoV, SARS-CoV-2-IN-6, SARS-CoV-2 3CL
Field of Research
Infectious Disease & Virology
Purity
≥98% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:3.3 mg/mL (10.55 mM) ; DMSO:80 mg/mL (255.8 mM) ; H2O:< 1 mg/mL (Insoluble)
Smiles
O=C (OC=1C=NC=C (Cl) C1) C2=CC=CC3=C2C=CN3CC=C
Molecular Formula
C17H13ClN2O2
Molecular Weight
312.75
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

SARS-CoV-2-IN-6
CAS Number2725749-22-2
PubChem CID156907341
IUPAC Name(5-chloro-3-pyridinyl) 1-prop-2-enylindole-4-carboxylate
Molecular FormulaC17H13ClN2O2
Molecular Weight312.7
XLogP3.7
Topological Polar Surface Area44.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count22
Formal Charge0
Complexity417
SMILES
C=CCN1C=CC2=C(C=CC=C21)C(=O)OC3=CC(=CN=C3)Cl
InChI
InChI=1S/C17H13ClN2O2/c1-2-7-20-8-6-14-15(4-3-5-16(14)20)17(21)22-13-9-12(18)10-19-11-13/h2-6,8-11H,1,7H2
InChIKey
XBVPAGLILYEOGS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of SARS-CoV-2-IN-6
CAS: 2725749-22-2
CID: 156907341
Formula: C17H13ClN2O2
MW: 312.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight312.7
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass312.0665554
Monoisotopic Mass312.0665554
Topological Polar Surface Area44.1 Ų
Heavy Atom Count22
Formal Charge0
Complexity417
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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