Ordopidine - Moligand™, ≥98% , Dopamine D2 receptor modulator, CAS No.871351-60-9, Dopamine D2 receptor modulator

CAS: 871351-60-9 Cat. No.: O671112 Molecular Weight: 285.38

GRADE & PURITY Moligand™, ≥98%

Synonyms

Ordopidine | DTXSID60236146 | ACR-325 | 1-ETHYL-4-[2-FLUORO-3-(METHYLSULFONYL)PHENYL]-PIPERIDINE | 1-Ethyl-4-(2-fluoro-3-(methylsulfonyl)phenyl)piperidine | SB17142 | ORDOPIDINE [WHO-DD] | Ordopidine [INN] | AKOS040753384

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Ordopidine is a dopamine D2 receptor antagonist. Ordopidine can inhibit hyperactivity caused by psychostimulants. Ordopidine can be used in neurological research.

Specifications

Synonyms

Ordopidine | DTXSID60236146 | ACR-325 | 1-ETHYL-4-[2-FLUORO-3-(METHYLSULFONYL)PHENYL]-PIPERIDINE | 1-Ethyl-4-(2-fluoro-3-(methylsulfonyl)phenyl)piperidine | SB17142 | ORDOPIDINE [WHO-DD] | Ordopidine [INN] | AKOS040753384

Specifications & Purity

Moligand™, ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

MODULATOR

Mechanism of action

Dopamine D2 receptor modulator

Purity

≥98%

Product Properties

• ALogP: 2.2

Names and Identifiers

• Canonical Smiles: CCN1CCC(CC1)C2=C(C(=CC=C2)S(=O)(=O)C)F
• IUPAC Name: 1-ethyl-4-(2-fluoro-3-methylsulfonylphenyl)piperidine
• InChIKey: UKUPJASJNQDHPH-UHFFFAOYSA-N
• INCHI: 1S/C14H20FNO2S/c1-3-16-9-7-11(8-10-16)12-5-4-6-13(14(12)15)19(2,17)18/h4-6,11H,3,7-10H2,1-2H3
• Isomeric SMILES: CCN1CCC(CC1)C2=C(C(=CC=C2)S(=O)(=O)C)F
• Alternate CAS: 871351-61-0
• Molecular Weight: 285.38

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Piperidines
      • Subclass Phenylpiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Piperidines
• Subclass: Phenylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperidines
• Alternative Parents: Benzenesulfonyl compounds Fluorobenzenes Aralkylamines Aryl fluorides Sulfones Trialkylamines Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpiperidine - Benzenesulfonyl group - Fluorobenzene - Halobenzene - Aralkylamine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Sulfone - Sulfonyl - Tertiary aliphatic amine - Tertiary amine - Azacycle - Amine - Organosulfur compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic 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

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 285.380 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 285.12 Da
• Monoisotopic Mass: 285.12 Da
• Topological Polar Surface Area: 45.800 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 385.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1