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HBV-IN-37

CAT: 0804-HY-156665-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-156665-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
HBV-IN-37 is an inhibitor of HBV with an EC50 value of 10 μM[1].
CAS Number
380483-01-2
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/hbv-in-37.html
Purity
99.04
Solubility
DMSO : 16.67 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
O=C1N(C(C2=CN(C3=CC=CC=C3)N=C2C4=CC=C(Cl)C=C4)SC1)CC5OCCC5
Molecular Formula
C23H22ClN3O2S
Molecular Weight
439.96
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

2-(3-(4-Chlorophenyl)-1-phenyl-1H-pyrazol-4-yl)-3-((tetrahydrofuran-2-yl)methyl)thiazolidin-4-one
CAS Number380483-01-2
PubChem CID4373606
IUPAC Name2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-4-one
Molecular FormulaC23H22ClN3O2S
Molecular Weight440.0
XLogP4.5
Topological Polar Surface Area72.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity597
SMILES
C1CC(OC1)CN2C(SCC2=O)C3=CN(N=C3C4=CC=C(C=C4)Cl)C5=CC=CC=C5
InChI
InChI=1S/C23H22ClN3O2S/c24-17-10-8-16(9-11-17)22-20(14-27(25-22)18-5-2-1-3-6-18)23-26(21(28)15-30-23)13-19-7-4-12-29-19/h1-3,5-6,8-11,14,19,23H,4,7,12-13,15H2
InChIKey
HKUHKRJFLLZKRF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(3-(4-Chlorophenyl)-1-phenyl-1H-pyrazol-4-yl)-3-((tetrahydrofuran-2-yl)methyl)thiazolidin-4-one
CAS: 380483-01-2
CID: 4373606
Formula: C23H22ClN3O2S
MW: 440.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight440.0
XLogP34.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass439.1121258
Monoisotopic Mass439.1121258
Topological Polar Surface Area72.7 Ų
Heavy Atom Count30
Formal Charge0
Complexity597
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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