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MePT-S-N-Pme

CAT: 0013-GTR19263207-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19263207-01Size:50 mg
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Description
MePT-S-N-Pme is an inhibitor of SARS-CoV-2 RdRp activity. It significantly reduces reporter gene activity, with an IC50 of 7 μM in HEK 293 cells. MePT-S-N-Pme exhibits a mild inhibitory effect on nucleotide transferase activity and markedly inhibits SARS-CoV-2 replication in vitro.
CAS Number
852301-66-7
Field of Research
Infectious Disease & Virology, Neuroscience
Smiles
O=C (C=1C=CC=CC1) C2=CC=C (SC3=NN=NN3C=4C=CC=CC4C) C (=C2) N (=O) =O
Molecular Formula
C21H15N5O3S
Molecular Weight
417.44
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

[4-[1-(2-Methylphenyl)tetrazol-5-yl]sulfanyl-3-nitrophenyl]-phenylmethanone
CAS Number852301-66-7
PubChem CID2571756
IUPAC Name[4-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-3-nitrophenyl]-phenylmethanone
Molecular FormulaC21H15N5O3S
Molecular Weight417.4
XLogP5.2
Topological Polar Surface Area132
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity612
SMILES
CC1=CC=CC=C1N2C(=NN=N2)SC3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-]
InChI
InChI=1S/C21H15N5O3S/c1-14-7-5-6-10-17(14)25-21(22-23-24-25)30-19-12-11-16(13-18(19)26(28)29)20(27)15-8-3-2-4-9-15/h2-13H,1H3
InChIKey
QIXVCVRFDZBKQO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of [4-[1-(2-Methylphenyl)tetrazol-5-yl]sulfanyl-3-nitrophenyl]-phenylmethanone
CAS: 852301-66-7
CID: 2571756
Formula: C21H15N5O3S
MW: 417.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight417.4
XLogP35.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass417.08956053
Monoisotopic Mass417.08956053
Topological Polar Surface Area132 Ų
Heavy Atom Count30
Formal Charge0
Complexity612
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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