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SARS-CoV-2-IN-44

CAT: 0804-HY-155014Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-155014Size:1 Each
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Description
SARS-CoV-2-IN-44, a inhibitor of SARS-CoV-2, inhibits viral replication, with an EC50 of 0.6μM. SARS-CoV-2-IN-44 has no evident cytotoxic effect in Calu-3 cells and can be used for antiviral research[1].
CAS Number
1311271-71-2
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-44.html
Solubility
10 mM in DMSO
Smiles
O=C1C2=CC=C(OCOC)C=C2O/C1=C\C3=CC=C(OC)C=C3
Molecular Formula
C18H16O5
Molecular Weight
312.32
References & Citations
[1]Caleffi GS, 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

SARS-CoV-2-IN-44
CAS Number1311271-71-2
PubChem CID141294224
IUPAC Name(2Z)-6-(methoxymethoxy)-2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one
Molecular FormulaC18H16O5
Molecular Weight312.3
XLogP3.5
Topological Polar Surface Area54
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity439
SMILES
COCOC1=CC2=C(C=C1)C(=O)/C(=C/C3=CC=C(C=C3)OC)/O2
InChI
InChI=1S/C18H16O5/c1-20-11-22-14-7-8-15-16(10-14)23-17(18(15)19)9-12-3-5-13(21-2)6-4-12/h3-10H,11H2,1-2H3/b17-9-
InChIKey
POMVJOWASPZFJH-MFOYZWKCSA-N
Chemical Structure
2D Structure
2D structure of SARS-CoV-2-IN-44
CAS: 1311271-71-2
CID: 141294224
Formula: C18H16O5
MW: 312.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight312.3
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass312.09977361
Monoisotopic Mass312.09977361
Topological Polar Surface Area54 Ų
Heavy Atom Count23
Formal Charge0
Complexity439
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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