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SARS-CoV-2-IN-14

CAT: 0931-T60538-01Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T60538-01Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
22203-98-1
Target
SARS-CoV
Related Pathways
Microbiology/Virology
Purity
0.9978
Bioactivity
SARS-CoV-2-IN-14 is a potent and oral inhibitor of SARS-CoV-2 (IC50:0.39 μM), which is an analogue of niclosamide. SARS-CoV-2-IN-14 was more stable than niclosamide in the determination of human plasma and liver S9 enzyme. Oral administration of SARS-CoV-2-IN-14 can improve its bioavailability and half-life.
Smiles
C(NC1=CC(Cl)=CC=C1)(=O)C2=C(O)C=CC(Cl)=C2
Molecular Formula
C13H9Cl2NO2
Molecular Weight
282.12
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3',5-Dichlorosalicylanilide
CAS Number22203-98-1
PubChem CID20196
IUPAC Name5-chloro-N-(3-chlorophenyl)-2-hydroxybenzamide
Molecular FormulaC13H9Cl2NO2
Molecular Weight282.12
XLogP4.5
Topological Polar Surface Area49.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity301
SMILES
C1=CC(=CC(=C1)Cl)NC(=O)C2=C(C=CC(=C2)Cl)O
InChI
InChI=1S/C13H9Cl2NO2/c14-8-2-1-3-10(6-8)16-13(18)11-7-9(15)4-5-12(11)17/h1-7,17H,(H,16,18)
InChIKey
NXDGLRGDIKDWIF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3',5-Dichlorosalicylanilide
CAS: 22203-98-1
CID: 20196
Formula: C13H9Cl2NO2
MW: 282.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight282.12
XLogP34.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass281.0010339
Monoisotopic Mass281.0010339
Topological Polar Surface Area49.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity301
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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