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SARS-CoV-2-IN-18

CAT: 0804-HY-143470Size: 1 EachDry Ice: NoHazardous: No
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Description
SARS-CoV-2-IN-18 (Compound 26) is a potent SARS-CoV-2 3C-like protease inhibitor with an IC50 of 45 nM[1].
CAS Number
184904-82-3
UNSPSC
12352005
Target
SARS-CoV
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-anti-virus
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/sars-cov-2-in-18.html
Solubility
10 mM in DMSO
Smiles
O=C(C1=CC2=C(N(CC3=CC=C4C=CC=CC4=C3)C(C2=O)=O)C=C1)N
Molecular Formula
C20H14N2O3
Molecular Weight
330.34
References & Citations
[1]Pei Liu, et al. Potent inhibitors of SARS-CoV-2 3C-like protease derived from N-substituted isatin compounds. Eur J Med Chem. 2020 Nov 15;206:112702.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

1-(Naphthalen-2-ylmethyl)-2,3-dioxoindole-5-carboxamide

1-(2-Naphthylmethyl)-2,3-dioxo-indoline-5-carboxamide is an indolecarboxamide. It has a role as an anticoronaviral agent.

CAS Number184904-82-3
PubChem CID515964
IUPAC Name1-(naphthalen-2-ylmethyl)-2,3-dioxoindole-5-carboxamide
Molecular FormulaC20H14N2O3
Molecular Weight330.3
XLogP2.5
Topological Polar Surface Area80.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity575
SMILES
C1=CC=C2C=C(C=CC2=C1)CN3C4=C(C=C(C=C4)C(=O)N)C(=O)C3=O
InChI
InChI=1S/C20H14N2O3/c21-19(24)15-7-8-17-16(10-15)18(23)20(25)22(17)11-12-5-6-13-3-1-2-4-14(13)9-12/h1-10H,11H2,(H2,21,24)
InChIKey
NTNYHMJYSGPGCQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(Naphthalen-2-ylmethyl)-2,3-dioxoindole-5-carboxamide
CAS: 184904-82-3
CID: 515964
Formula: C20H14N2O3
MW: 330.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight330.3
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass330.10044231
Monoisotopic Mass330.10044231
Topological Polar Surface Area80.5 Ų
Heavy Atom Count25
Formal Charge0
Complexity575
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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