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VU0530244

CAT: 0013-GTR19241927-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19241927-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
VU0530244 is a selective 5-HT2B receptor antagonist used in research to investigate receptor function. It is a valuable tool for in vitro binding assays and in vivo studies exploring serotonin signaling in cardiovascular and central nervous system pathways.
CAS Number
1396886-30-8
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
O=C (C1=CC (=NN1C) C=2C=CC (F) =CC2) N3CC (C4=NC=5C=CC (=CC5N4) C) C3
Molecular Formula
C22H20FN5O
Molecular Weight
389.43
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(3-(4-fluorophenyl)-1-methyl-1H-pyrazol-5-yl)(3-(5-methyl-1H-benzo[d]imidazol-2-yl)azetidin-1-yl)methanone
CAS Number1396886-30-8
PubChem CID71783796
IUPAC Name[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[3-(6-methyl-1H-benzimidazol-2-yl)azetidin-1-yl]methanone
Molecular FormulaC22H20FN5O
Molecular Weight389.4
XLogP3.3
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity606
SMILES
CC1=CC2=C(C=C1)N=C(N2)C3CN(C3)C(=O)C4=CC(=NN4C)C5=CC=C(C=C5)F
InChI
InChI=1S/C22H20FN5O/c1-13-3-8-17-19(9-13)25-21(24-17)15-11-28(12-15)22(29)20-10-18(26-27(20)2)14-4-6-16(23)7-5-14/h3-10,15H,11-12H2,1-2H3,(H,24,25)
InChIKey
JWLJKHOGMOIRDR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (3-(4-fluorophenyl)-1-methyl-1H-pyrazol-5-yl)(3-(5-methyl-1H-benzo[d]imidazol-2-yl)azetidin-1-yl)methanone
CAS: 1396886-30-8
CID: 71783796
Formula: C22H20FN5O
MW: 389.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight389.4
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass389.16518844
Monoisotopic Mass389.16518844
Topological Polar Surface Area66.8 Ų
Heavy Atom Count29
Formal Charge0
Complexity606
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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