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ST-836

CAT: 0013-GTR19204718-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19204718-01Size:25 mg
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Description
ST-836 is a dopamine receptor ligand with potential as an antiparkinsonian agent. It is used in neuroscience research to study dopaminergic pathways and has been investigated in both in vitro binding assays and in vivo models of Parkinson's disease.
CAS Number
1148156-63-1
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
O (C) C1=C (C=CC=C1) N2CCN (CCN (CCC) C3CC4=C (CC3) N=CS4) CC2
Molecular Formula
C23H34N4OS
Molecular Weight
414.61
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine
CAS Number1148156-63-1
PubChem CID42602909
IUPAC NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine
Molecular FormulaC23H34N4OS
Molecular Weight414.6
XLogP4.3
Topological Polar Surface Area60.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count29
Formal Charge0
Complexity487
SMILES
CCCN(CCN1CCN(CC1)C2=CC=CC=C2OC)C3CCC4=C(C3)SC=N4
InChI
InChI=1S/C23H34N4OS/c1-3-10-26(19-8-9-20-23(17-19)29-18-24-20)14-11-25-12-15-27(16-13-25)21-6-4-5-7-22(21)28-2/h4-7,18-19H,3,8-17H2,1-2H3
InChIKey
RSWFSOOHVWOZQI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine
CAS: 1148156-63-1
CID: 42602909
Formula: C23H34N4OS
MW: 414.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight414.6
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass414.24533289
Monoisotopic Mass414.24533289
Topological Polar Surface Area60.1 Ų
Heavy Atom Count29
Formal Charge0
Complexity487
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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A11571-1ST-836 1mg

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