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Antiviral agent 38

CAT: 0804-HY-149468Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-149468Size:1 mg
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Description
Antiviral agent 38 (compound 2.1-1) is a potent antiviral agent. Antiviral agent 38 can be used for hepatitis B virus (HBV) research[1].
CAS Number
2247932-38-1
UNSPSC
12352005
Target
HBV
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-anti-virus
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/antiviral-agent-38.html
Solubility
10 mM in DMSO
Smiles
CC(C)([C@H]1N2C(C3=C4C(C(OCCCOC)=CC=C4)=NN3C1)=CC(C(C(O)=O)=C2)=O)C
Molecular Formula
C23H27N3O5
Molecular Weight
425.48
References & Citations
[1]Jiping Fu, et al. Fused indazole pyridone compounds as antivirals. WO2018198079A1.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Antiviral agent 38
CAS Number2247932-38-1
PubChem CID135365650
IUPAC Name(8R)-8-tert-butyl-13-(3-methoxypropoxy)-4-oxo-7,10,11-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(17),2,5,11,13,15-hexaene-5-carboxylic acid
Molecular FormulaC23H27N3O5
Molecular Weight425.5
XLogP3.6
Topological Polar Surface Area93.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count31
Formal Charge0
Complexity787
SMILES
CC(C)(C)[C@@H]1CN2C(=C3C=CC=C(C3=N2)OCCCOC)C4=CC(=O)C(=CN14)C(=O)O
InChI
InChI=1S/C23H27N3O5/c1-23(2,3)19-13-26-21(16-11-17(27)15(22(28)29)12-25(16)19)14-7-5-8-18(20(14)24-26)31-10-6-9-30-4/h5,7-8,11-12,19H,6,9-10,13H2,1-4H3,(H,28,29)/t19-/m0/s1
InChIKey
RAHUCUNWBZUOGQ-IBGZPJMESA-N
Chemical Structure
2D Structure
2D structure of Antiviral agent 38
CAS: 2247932-38-1
CID: 135365650
Formula: C23H27N3O5
MW: 425.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight425.5
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass425.19507097
Monoisotopic Mass425.19507097
Topological Polar Surface Area93.9 Ų
Heavy Atom Count31
Formal Charge0
Complexity787
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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