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

CAS: 852225-20-8 Cat. No.: W418256 Formule: C₁₁H₁₄N₄O₃ Poids moléculaire: 250.25386 PubChem CID: 4780686

QUALITÉ & PURETÉ ≥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

Vue d’ensemble

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

Spécifications

Synonymes

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

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at -20°C,Argon charged

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Propriétés du produit

ALogP

0.492

Liaison rotative

2

Noms et identifiants

Pubchem Sid

504763129

Pubchem Sid Url

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

Sourires canoniques

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

Isomères SMILES

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

PubChem CID

4780686

Poids moléculaire

250.25386

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• DMSO (mM) Solubilité maximale: 10
• Poids moléculaire: 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