Products for Research Use Only
RegisterLogin

SARS-CoV-2 Mpro-IN-12

CAT: 0931-T81210-01Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T81210-01Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
370583-15-6
Target
SARS-CoV
Related Pathways
Microbiology/Virology
Bioactivity
SARS-CoV-2 Mpro-IN-12 (compound D026) is an inhibitor of the main protease (Mpro) of SARS-CoV-2, demonstrating antiviral properties [1].
Smiles
O=C(C=CC=CC=1C=CC=CC1)CC2(O)C(=O)NC=3C=CC=CC32
Molecular Formula
C20H17NO3
Molecular Weight
319.35
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

SARS-CoV-2 Mpro-IN-12
CAS Number370583-15-6
PubChem CID5767392
IUPAC Name3-hydroxy-3-[(3E,5E)-2-oxo-6-phenylhexa-3,5-dienyl]-1H-indol-2-one
Molecular FormulaC20H17NO3
Molecular Weight319.4
XLogP3
Topological Polar Surface Area66.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity533
SMILES
C1=CC=C(C=C1)/C=C/C=C/C(=O)CC2(C3=CC=CC=C3NC2=O)O
InChI
InChI=1S/C20H17NO3/c22-16(11-5-4-10-15-8-2-1-3-9-15)14-20(24)17-12-6-7-13-18(17)21-19(20)23/h1-13,24H,14H2,(H,21,23)/b10-4+,11-5+
InChIKey
MZIDKDPPIHIDQR-ZVSIBQGLSA-N
Chemical Structure
2D Structure
2D structure of SARS-CoV-2 Mpro-IN-12
CAS: 370583-15-6
CID: 5767392
Formula: C20H17NO3
MW: 319.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight319.4
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass319.12084340
Monoisotopic Mass319.12084340
Topological Polar Surface Area66.4 Ų
Heavy Atom Count24
Formal Charge0
Complexity533
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
T72581-01SARS-CoV MPro-IN-2
T63098-01SARS-CoV-2 Mpro-IN-2
T210160-01SARS-CoV-2 Mpro-IN-18
T207050-01SARS-CoV-2 Mpro-IN-30
T206175-01SARS-CoV-2 Mpro-IN-38
T205543-01SARS-CoV-2 Mpro-IN-36
T204535-01SARS-CoV-2 Mpro-IN-35
T201527-01SARS-CoV-2 Mpro-IN-34
T201191-01SARS-CoV-2 Mpro-IN-32
T79455-01SARS-CoV-2 Mpro-IN-9

Alternative Products

CatalogName
MBS5822863SARS-CoV-2 Mpro-IN-12
MBS5814922SARS-CoV MPro-IN-2
BUP09212-01SARS-CoV-2 Mpro-IN-2
HY-170545SARS-CoV-2 Mpro-IN-35
HY-159932SARS-CoV-2 Mpro-IN-30
HY-163211-01SARS-CoV-2 Mpro-IN-14
HY-161722SARS-CoV-2 Mpro-IN-21
HY-155654SARS-CoV-2 Mpro-IN-10
HY-169260SARS-CoV-2 Mpro-IN-27
HY-144464SARS-CoV-2 Mpro-IN-1

Popular Products