(alpha)1 adrenoceptor-MO-1 , CAS No.161905-64-2

CAS: 161905-64-2 Cat. No.: A965979 Summenformel: C₂₀H₂₄ClN₅O Molekulargewicht: 385.900

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Aktionsart

MODULATOR

Namen und Kennungen

Kanonisches Lächeln

C[C@H]1CN(CCN1CCCN2C(=O)N3C=CC=CC3=N2)C4=CC(=CC=C4)Cl

IUPAC Name

2-[3-[(2S)-4-(3-chlorophenyl)-2-methylpiperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

InChIKey

ORJUEHXQOBCAKN-INIZCTEOSA-N

INCHI

1S/C20H24ClN5O/c1-16-15-24(18-7-4-6-17(21)14-18)13-12-23(16)9-5-11-26-20(27)25-10-3-2-8-19(25)22-26/h2-4,6-8,10,14,16H,5,9,11-13,15H2,1H3/t16-/m0/s1

Molekulargewicht

385.900

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperazines
• Alternative Parents: N-arylpiperazines Aryl 1,2,4-triazolones Triazolopyridines Aniline and substituted anilines Dialkylarylamines Pyridinones Chlorobenzenes N-alkylpiperazines Aryl chlorides Heteroaromatic compounds Trialkylamines Azacyclic compounds Hydrocarbon derivatives Organooxygen compounds Organochlorides Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylpiperazine - N-arylpiperazine - Aryl 1,2,4-triazol-3-one - Triazolopyridine - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Pyridinone - Halobenzene - Chlorobenzene - N-alkylpiperazine - Pyridine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Triazole - 1,2,4-triazole - Heteroaromatic compound - Azole - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 385.900 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 385.167 Da
• Monoisotopic Mass: 385.167 Da
• Topological Polar Surface Area: 42.400 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 648.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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

Häufig gestellte Fragen

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 161905-64-2, the molecular formula is C20H24ClN5O, and the molecular weight is 385.900 g/mol. InChIKey ORJUEHXQOBCAKN-INIZCTEOSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.