WAY-647802 - ≥98% , CAS No.852225-20-8

CAS: 852225-20-8 Cat. No.: W418256 Fórmula: C₁₁H₁₄N₄O₃ Peso molecular: 250.25386 PubChem CID: 4780686

CALIDAD & PUREZA ≥98%

Synonyms

1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]ethan-1-one | 1-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]Ethanone | 1-[4-(6-Nitro-pyridin-3-yl)-piperazin-1-yl]-ethanone | 1-(4-(6-nitropyridin-3-yl)piperazin-1-yl)ethanone

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Descripción general

EGFR or/and ALK inhibitors; antiproliferative agents; CDK4 and 6 inhibitors ; Wnt signaling modulators; protein kinase inhibitors;

Especificaciones

Sinónimos

1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]ethan-1-one | 1-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]Ethanone | 1-[4-(6-Nitro-pyridin-3-yl)-piperazin-1-yl]-ethanone | 1-(4-(6-nitropyridin-3-yl)piperazin-1-yl)ethanone

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C,Argon charged

Enviado en

Ice chest + Ice pads

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

Pureza

≥98%

Propiedades del producto

ALogP

0.492

Enlace rotable

2

Nombres e identificadores

Pubchem Sid

504763129

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504763129

Sonrisas canónicas

CC(=O)N1CCN(CC1)C2=CN=C(C=C2)[N+](=O)[O-]

IUPAC Name

1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]ethanone

InChIKey

XRKWOGZOQWSBCT-UHFFFAOYSA-N

INCHI

1S/C11H14N4O3/c1-9(16)13-4-6-14(7-5-13)10-2-3-11(12-8-10)15(17)18/h2-3,8H,4-7H2,1H3

Isómeros SMILES

CC(=O)N1CCN(CC1)C2=CN=C(C=C2)[N+](=O)[O-]

PubChem CID

4780686

Peso molecular

250.25386

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: Pyridinylpiperazines
• Alternative Parents: N-arylpiperazines Nitroaromatic compounds Dialkylarylamines Aminopyridines and derivatives Imidolactams Tertiary carboxylic acid amides Acetamides Heteroaromatic compounds Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organic salts Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridinylpiperazine - N-arylpiperazine - Nitroaromatic compound - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aminopyridine - Pyridine - Imidolactam - Tertiary carboxylic acid amide - Heteroaromatic compound - Acetamide - Organic nitro compound - Carboxamide group - C-nitro compound - Tertiary amine - Amino acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Organic salt - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organic cation - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyridinylpiperazines. These are compounds containing a pyridinylpiperazine skeleton, which consists of a pyridine linked (not fused) to a piperazine by a bond by a single bond that is not part of a ring.
• 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

• DMSO (mM) Solubilidad máxima: 10
• Peso molecular: 250.250 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 250.107 Da
• Monoisotopic Mass: 250.107 Da
• Topological Polar Surface Area: 82.300 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 323.000
• 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