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ST-198

CAT: 0013-GTR19196420-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19196420-01Size:25 mg
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Description
ST-198 is a selective small molecule antagonist of the dopamine D3 receptor. It is a valuable research tool for investigating D3 receptor function in neuropsychiatric disorders, such as addiction and schizophrenia, and is suitable for both in vitro binding assays and in vivo behavioral studies.
CAS Number
854924-64-4
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
C (CCCNC (/C=C/C1=CC=CC=C1) =O) N2CC=3C (CC2) =CC=CC3
Molecular Formula
C22H26N2O
Molecular Weight
334.45
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

((E)-N-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)butyl)-3-phenylacrylamide

a dopamine antagonist; selective for D3 dopamine receptors; structure in first source

CAS Number854924-64-4
PubChem CID10065496
IUPAC Name(E)-N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-phenylprop-2-enamide
Molecular FormulaC22H26N2O
Molecular Weight334.5
XLogP3.9
Topological Polar Surface Area32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Heavy Atom Count25
Formal Charge0
Complexity428
SMILES
C1CN(CC2=CC=CC=C21)CCCCNC(=O)/C=C/C3=CC=CC=C3
InChI
InChI=1S/C22H26N2O/c25-22(13-12-19-8-2-1-3-9-19)23-15-6-7-16-24-17-14-20-10-4-5-11-21(20)18-24/h1-5,8-13H,6-7,14-18H2,(H,23,25)/b13-12+
InChIKey
GQPJBOOQHWEOKT-OUKQBFOZSA-N
Chemical Structure
2D Structure
2D structure of ((E)-N-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)butyl)-3-phenylacrylamide
CAS: 854924-64-4
CID: 10065496
Formula: C22H26N2O
MW: 334.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight334.5
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Exact Mass334.204513457
Monoisotopic Mass334.204513457
Topological Polar Surface Area32.3 Ų
Heavy Atom Count25
Formal Charge0
Complexity428
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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