Products for Research Use Only
RegisterLogin

SARS-CoV-2 3CLpro-IN-15

CAT: 0013-GTR19218916Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19218916Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
SARS-CoV-2 3CLpro-IN-15 (compound a) is a beta-nitrostyrene-based inhibitor targeting the SARS-CoV-2 3CL protease. It effectively blocks viral replication and transcription, serving as a valuable chemical tool for identifying anti-COVID-19 drug candidates in both in vitro enzymatic and cellular assay systems.
CAS Number
3156-41-0
Field of Research
Infectious Disease & Virology
Smiles
O=[N+] (C (C=C1) =CC=C1C=CC[N+] ([O-]) =O) [O-]
Molecular Formula
C8H6N2O4
Molecular Weight
194.14
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-nitro-4-[(E)-2-nitroethenyl]benzene
CAS Number3156-41-0
PubChem CID5355016
IUPAC Name1-nitro-4-[(E)-2-nitroethenyl]benzene
Molecular FormulaC8H6N2O4
Molecular Weight194.14
XLogP1.9
Topological Polar Surface Area91.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity245
SMILES
C1=CC(=CC=C1/C=C/[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C8H6N2O4/c11-9(12)6-5-7-1-3-8(4-2-7)10(13)14/h1-6H/b6-5+
InChIKey
HABXLWPUIWFTNM-AATRIKPKSA-N
Chemical Structure
2D Structure
2D structure of 1-nitro-4-[(E)-2-nitroethenyl]benzene
CAS: 3156-41-0
CID: 5355016
Formula: C8H6N2O4
MW: 194.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight194.14
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass194.03275668
Monoisotopic Mass194.03275668
Topological Polar Surface Area91.6 Ų
Heavy Atom Count14
Formal Charge0
Complexity245
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19185272-01SARS-CoV-2 3CLpro-IN-2
GTR19219609-01SARS-CoV-2 3CLpro-IN-5
GTR19212829-01SARS-CoV-2 3CLpro-IN-6
GTR19212828-01SARS-CoV-2 3CLpro-IN-7
GTR19257548-01SARS-CoV-2 3CLpro-IN-32
GTR19239689-01SARS-CoV-2 3CLpro-IN-27
GTR19230935-01SARS-CoV-2 3CLpro-IN-19
GTR19230522-01SARS-CoV-2 3CLpro-IN-14
GTR19230360-01SARS-CoV-2 3CLpro-IN-21
GTR19261959-01SARS-CoV-2 3CLpro-IN-23

Alternative Products

CatalogName
MBS5822317SARS-CoV-2 3CLpro-IN-15
HY-146998-01SARS-CoV-2 3CLpro-IN-2
HY-172906SARS-CoV-2 3CLpro-IN-32
HY-170357SARS-CoV-2 3CLpro-IN-28
HY-147805SARS-CoV-2 3CLpro-IN-4
HY-157966SARS-CoV-2 3CLpro-IN-23
HY-161919SARS-CoV-2 3CLpro-IN-25
HY-155186SARS-CoV-2 3CLpro-IN-19
T209008-01SARS-CoV-2 3CLpro-IN-22
T72364-01SARS-CoV-2 3CLpro-IN-5

Popular Products