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SARS-CoV-2-IN-39

CAT: 0931-T77516-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T77516-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2882823-03-0
Target
Antiviral, SARS-CoV
Related Pathways
Microbiology/Virology, Immunology/Inflammation
Purity
0.9986
Bioactivity
SARS-CoV-2-IN-39 is a SARS-CoV-2 inhibitor with an EC50 of 1 μM. SARS-CoV-2-IN-39 has antiviral activity and inhibits SARS-CoV-2 by inhibiting SKP2 protein and stabilizing BECN1.
Smiles
C(NC1=CC=C(OC(F)(F)F)C=C1)(=O)C2=C(O)C=C(F)C(Cl)=C2
Molecular Formula
C14H8ClF4NO3
Molecular Weight
349.66
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

SARS-CoV-2-IN-39
CAS Number2882823-03-0
PubChem CID166523088
IUPAC Name5-chloro-4-fluoro-2-hydroxy-N-[4-(trifluoromethoxy)phenyl]benzamide
Molecular FormulaC14H8ClF4NO3
Molecular Weight349.66
XLogP4.9
Topological Polar Surface Area58.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity415
SMILES
C1=CC(=CC=C1NC(=O)C2=CC(=C(C=C2O)F)Cl)OC(F)(F)F
InChI
InChI=1S/C14H8ClF4NO3/c15-10-5-9(12(21)6-11(10)16)13(22)20-7-1-3-8(4-2-7)23-14(17,18)19/h1-6,21H,(H,20,22)
InChIKey
AGOOHZQXJABZCD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of SARS-CoV-2-IN-39
CAS: 2882823-03-0
CID: 166523088
Formula: C14H8ClF4NO3
MW: 349.66
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight349.66
XLogP34.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass349.0128835
Monoisotopic Mass349.0128835
Topological Polar Surface Area58.6 Ų
Heavy Atom Count23
Formal Charge0
Complexity415
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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