(S)-WAY 100135 dihydrochloride - ≥99% , CAS No.149007-54-5

CAS: 149007-54-5 Cat. No.: W276241 Peso molecular: 468.5 Número EC: 683-580-3 PubChem CID: 14801905

GRADE & PURITY ≥99%

Synonyms

WAY 100135 dihydrochloride | (S)-WAY 100135 dihydrochloride | E98672 | AKOS040756855 | J-008548 | N-tert-Butyl-3-(4-(2-methoxyphenyl)-piperazin-1-yl) -2-phenylpropanamide dihydrochloride | HY-117575A | J-008541 | ZFA05579 | N-tert-butyl-3-[4-(2-methoxyphe

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

WAY 100135 dihydrochloride | (S)-WAY 100135 dihydrochloride | E98672 | AKOS040756855 | J-008548 | N-tert-Butyl-3-(4-(2-methoxyphenyl)-piperazin-1-yl) -2-phenylpropanamide dihydrochloride | HY-117575A | J-008541 | ZFA05579 | N-tert-butyl-3-[4-(2-methoxyphe

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

ANTAGONIST

Nota

Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C)NC(=O)C(CN1CCN(CC1)C2=CC=CC=C2OC)C3=CC=CC=C3.Cl.Cl
• IUPAC Name: N-tert-butyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylpropanamide;dihydrochloride
• InChIKey: VJGZNBYDSDEOED-UHFFFAOYSA-N
• INCHI: 1S/C24H33N3O2.2ClH/c1-24(2,3)25-23(28)20(19-10-6-5-7-11-19)18-26-14-16-27(17-15-26)21-12-8-9-13-22(21)29-4;;/h5-13,20H,14-18H2,1-4H3,(H,25,28);2*1H
• Isómeros SMILES: CC(C)(C)NC(=O)C(CN1CCN(CC1)C2=CC=CC=C2OC)C3=CC=CC=C3.Cl.Cl
• PubChem CID: 14801905
• Peso molecular: 468.5

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperazines
• Alternative Parents: N-arylpiperazines Beta amino acids and derivatives Phenylacetamides Methoxyanilines Aminophenyl ethers Phenoxy compounds Methoxybenzenes Anisoles Dialkylarylamines Alkyl aryl ethers N-alkylpiperazines Aralkylamines Trialkylamines Secondary carboxylic acid amides Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Hydrochlorides Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpiperazine - N-arylpiperazine - Beta amino acid or derivatives - Phenylacetamide - Aminophenyl ether - Methoxyaniline - Phenoxy compound - Anisole - Tertiary aliphatic/aromatic amine - Phenol ether - Methoxybenzene - Aniline or substituted anilines - Dialkylarylamine - Alkyl aryl ether - Aralkylamine - N-alkylpiperazine - Benzenoid - Monocyclic benzene moiety - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Tertiary aliphatic amine - Tertiary amine - Ether - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Hydrochloride - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Soluble in water to 10 mM and in DMSO to 100 mM
• Peso molecular: 468.500 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 467.211 Da
• Monoisotopic Mass: 467.211 Da
• Topological Polar Surface Area: 44.800 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 505.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 3

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