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

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

QUALITÀ & PUREZZA ≥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

Panoramica

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

Specifiche

Sinonimi

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

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at -20°C,Argon charged

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Proprietà del prodotto

ALogP

0.492

Legame rotabile

2

Nomi e identificatori

Pubchem Sid

504763129

Pubchem Sid Url

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

Sorrisi canonici

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

Isomeri SMILES

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

PubChem CID

4780686

Peso molecolare

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
• Descrizione: 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

Proprietà chimiche e fisiche

• DMSO (mM) Solubilità massima: 10
• Peso molecolare: 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