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UCSF648

CAT: 0013-GTR19188479-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19188479-02Size:50 mg
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Description
UCSF648 (5A6-48) is a selective chemical probe for the serotonin receptor 5-HT5A. It also exhibits weak agonist activity at MTNR1A and ADRA2A receptors. This compound is utilized in vitro for investigating 5-HT5A receptor function and neuropharmacology.
CAS Number
2637090-55-0
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
C (NCCCS (CC) (=O) =O) C=1C2=C (C (Cl) =CC1) C=CC=N2
Molecular Formula
C15H19ClN2O2S
Molecular Weight
326.84
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

UCSF686 dihydrochloride
CAS Number2637090-55-0
PubChem CID154864756
IUPAC NameN-[(5-chloroquinolin-8-yl)methyl]-3-ethylsulfonylpropan-1-amine
Molecular FormulaC15H19ClN2O2S
Molecular Weight326.8
XLogP2.3
Topological Polar Surface Area67.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count21
Formal Charge0
Complexity410
SMILES
CCS(=O)(=O)CCCNCC1=C2C(=C(C=C1)Cl)C=CC=N2
InChI
InChI=1S/C15H19ClN2O2S/c1-2-21(19,20)10-4-8-17-11-12-6-7-14(16)13-5-3-9-18-15(12)13/h3,5-7,9,17H,2,4,8,10-11H2,1H3
InChIKey
GNNSPXBPLMMQSR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of UCSF686 dihydrochloride
CAS: 2637090-55-0
CID: 154864756
Formula: C15H19ClN2O2S
MW: 326.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight326.8
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass326.0855767
Monoisotopic Mass326.0855767
Topological Polar Surface Area67.4 Ų
Heavy Atom Count21
Formal Charge0
Complexity410
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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