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VU0631019

CAT: 0013-GTR19242468-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19242468-02Size:50 mg
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Description
VU0631019 is a selective 5-HT2B receptor antagonist used in research. This small molecule is a valuable tool for investigating serotonin receptor function in both cellular (in vitro) and animal (in vivo) models of cardiovascular and fibrotic diseases.
CAS Number
1235656-95-7
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
O=C (NC=1C=CC=CC1Cl) NCC2CCN (CC=3C=C (OC3C) C) CC2
Molecular Formula
C20H26ClN3O2
Molecular Weight
375.89
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-(2-Chlorophenyl)-3-((1-((2,5-dimethylfuran-3-yl)methyl)piperidin-4-yl)methyl)urea
CAS Number1235656-95-7
PubChem CID49687226
IUPAC Name1-(2-chlorophenyl)-3-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]urea
Molecular FormulaC20H26ClN3O2
Molecular Weight375.9
XLogP3.7
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity456
SMILES
CC1=CC(=C(O1)C)CN2CCC(CC2)CNC(=O)NC3=CC=CC=C3Cl
InChI
InChI=1S/C20H26ClN3O2/c1-14-11-17(15(2)26-14)13-24-9-7-16(8-10-24)12-22-20(25)23-19-6-4-3-5-18(19)21/h3-6,11,16H,7-10,12-13H2,1-2H3,(H2,22,23,25)
InChIKey
OGJNQNCBXLQLOQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(2-Chlorophenyl)-3-((1-((2,5-dimethylfuran-3-yl)methyl)piperidin-4-yl)methyl)urea
CAS: 1235656-95-7
CID: 49687226
Formula: C20H26ClN3O2
MW: 375.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight375.9
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass375.1713548
Monoisotopic Mass375.1713548
Topological Polar Surface Area57.5 Ų
Heavy Atom Count26
Formal Charge0
Complexity456
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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