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PF-03246799

CAT: 1410-M10282-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M10282-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
A potent and selective 5-HT2C receptor agonist with EC50 of 190 nM, with excellent selectivity for 5-HT2C over 5-HT2A.
CAS Number
1065110-62-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
239.322
Molecular Formula
C15H17N3
Notes
Research use only, not for human use.
Receptor
5-HT Receptor

Chemical Information

2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CAS Number1065110-62-4
PubChem CID25070582
IUPAC Name2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
Molecular FormulaC15H17N3
Molecular Weight239.32
XLogP2.1
Topological Polar Surface Area37.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity250
SMILES
C1CNCCC2=NC(=NC=C21)CC3=CC=CC=C3
InChI
InChI=1S/C15H17N3/c1-2-4-12(5-3-1)10-15-17-11-13-6-8-16-9-7-14(13)18-15/h1-5,11,16H,6-10H2
InChIKey
CZWQBSKNHUVZLI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CAS: 1065110-62-4
CID: 25070582
Formula: C15H17N3
MW: 239.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight239.32
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass239.142247555
Monoisotopic Mass239.142247555
Topological Polar Surface Area37.8 Ų
Heavy Atom Count18
Formal Charge0
Complexity250
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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