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SARS-CoV-2-IN-43

CAT: 0804-HY-155013Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-155013Size:1 Each
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Description
SARS-CoV-2-IN-43 (Compound 8h) is a potentSARS-CoV-2replication inhibitor with antiviral activity[1].
CAS Number
31356-11-3
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-43.html
Solubility
10 mM in DMSO
Smiles
COC1=CC=C(C(/C(O2)=C/C3=CC=CC=C3)=O)C2=C1
Molecular Formula
C16H12O3
Molecular Weight
252.26
References & Citations
[1]Guilherme S Caleffi, et al. Aurones: A Promising Scaffold to Inhibit SARS-CoV-2 Replication. J Nat Prod. 2023 Jun 23;86 (6) :1536-1549.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

(2Z)-2-benzylidene-6-methoxy-1-benzofuran-3(2H)-one
CAS Number31356-11-3
PubChem CID642380
IUPAC Name(2Z)-2-benzylidene-6-methoxy-1-benzofuran-3-one
Molecular FormulaC16H12O3
Molecular Weight252.26
XLogP3.6
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity368
SMILES
COC1=CC2=C(C=C1)C(=O)/C(=C/C3=CC=CC=C3)/O2
InChI
InChI=1S/C16H12O3/c1-18-12-7-8-13-14(10-12)19-15(16(13)17)9-11-5-3-2-4-6-11/h2-10H,1H3/b15-9-
InChIKey
LKWWJGGLULNRBP-DHDCSXOGSA-N
Chemical Structure
2D Structure
2D structure of (2Z)-2-benzylidene-6-methoxy-1-benzofuran-3(2H)-one
CAS: 31356-11-3
CID: 642380
Formula: C16H12O3
MW: 252.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight252.26
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass252.078644241
Monoisotopic Mass252.078644241
Topological Polar Surface Area35.5 Ų
Heavy Atom Count19
Formal Charge0
Complexity368
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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