≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
GSK598809 is a potent and selective dopamine D3 Receptor (DRD3) antagonist, with a pK i of 8.9.
In Vivo
Cocaine and GSK598809 each increases peak mean arterial blood pressure. Least square mean differences are significant for both doses of cocaine compared with its vehicle. Likewise, least square mean differences are significant for both doses of GSK598809 as compared with its vehicle. The experimental question of interest, that is, whether GSK598809 significantly increases cocaine effects on peak mean arterial blood pressure, is probed by a prior it tests on the means of the fitted regression model. The dose of 3 mg/kg GSK598809 significantly increases the pressor effects of 5.6 mg/kg cocaine and of 1.7 mg/kg cocaine . MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Form:Solid
IC50& Target:pKi: DRD3
| Canonical Smiles | CC1=C(OC=N1)C2=NN=C(N2C)SCCCN3CC4CC4(C3)C5=C(C=C(C=C5)C(F)(F)F)F |
|---|---|
| IUPAC Name | 5-[5-[3-[1-[2-fluoro-4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]propylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-4-methyl-1,3-oxazole |
| InChIKey | ZKRWPAYTJMRKLJ-UHFFFAOYSA-N |
| INCHI | 1S/C22H23F4N5OS/c1-13-18(32-12-27-13)19-28-29-20(30(19)2)33-7-3-6-31-10-15-9-21(15,11-31)16-5-4-14(8-17(16)23)22(24,25)26/h4-5,8,12,15H,3,6-7,9-11H2,1-2H3 |
| Isomeric SMILES | CC1=C(OC=N1)C2=NN=C(N2C)SCCCN3CC4CC4(C3)C5=C(C=C(C=C5)C(F)(F)F)F |
| PubChem CID | 24743758 |
| Molecular Weight | 481.51 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Piperidines |
| Subclass | Phenylpiperidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpiperidines |
| Alternative Parents | Phenylpyrrolidines Trifluoromethylbenzenes 4,5-disubstituted oxazoles Alkylarylthioethers Aralkylamines Fluorobenzenes Aryl fluorides N-alkylpyrrolidines Heteroaromatic compounds Pyrroles Triazoles Trialkylamines Azacyclic compounds Sulfenyl compounds Oxacyclic compounds Organofluorides Alkyl fluorides Hydrocarbon derivatives Organooxygen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylpiperidine - 3-phenylpyrrolidine - Trifluoromethylbenzene - Aryl thioether - 4,5-disubstituted 1,3-oxazole - Fluorobenzene - Halobenzene - Alkylarylthioether - Aralkylamine - Benzenoid - N-alkylpyrrolidine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - 1,2,4-triazole - Azole - Pyrrolidine - Pyrrole - Oxazole - Tertiary aliphatic amine - Tertiary amine - Thioether - Sulfenyl compound - Azacycle - Oxacycle - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Amine - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group. |
| External Descriptors | Not available |
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| Solubility | DMSO : 83.33 mg/mL (173.06 mM; Need ultrasonic) 1M HCl : 28.57 mg/mL (59.33 mM; ultrasonic and adjust pH to 2 with HCl) |
|---|---|
| Molecular Weight | 481.500 g/mol |
| XLogP3 | 4.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 7 |
| Exact Mass | 481.156 Da |
| Monoisotopic Mass | 481.156 Da |
| Topological Polar Surface Area | 85.300 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 704.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
