WAY-620472 - ≥98% , CAS No.686769-90-4

CAS: 686769-90-4 Cat. No.: W417684 Formule: C₂₃H₂₁N₅OS Poids moléculaire: 415.51 PubChem CID: 2999538

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

altering the lifespan of a eukaryotic organism; PPAR modulator;

Specifications

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at -20°C

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: 4.388
• Liaison rotative: 4

Noms et identifiants

• Pubchem Sid: 528768216
• Sourires canoniques: C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5
• IUPAC Name: (1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
• InChIKey: YNOUQZZWJSYAOA-UHFFFAOYSA-N
• INCHI: 1S/C23H21N5OS/c29-23(27-14-12-26(13-15-27)21-10-4-5-11-24-21)19-17-28(18-7-2-1-3-8-18)25-22(19)20-9-6-16-30-20/h1-11,16-17H,12-15H2
• Isomères SMILES: C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5
• PubChem CID: 2999538
• Poids moléculaire: 415.51

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 Phenylpyrazoles Dialkylarylamines Pyrazole-4-carboxamides Aminopyridines and derivatives Benzene and substituted derivatives Imidolactams Vinylogous amides Thiophenes Tertiary carboxylic acid amides Heteroaromatic compounds Azacyclic compounds Hydrocarbon derivatives Organopnictogen compounds Organooxygen compounds Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridinylpiperazine - N-arylpiperazine - Phenylpyrazole - Dialkylarylamine - Pyrazole-4-carboxamide - Aminopyridine - Monocyclic benzene moiety - Pyridine - Imidolactam - Benzenoid - Heteroaromatic compound - Pyrazole - Vinylogous amide - Azole - Thiophene - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - 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

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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SMN1 Tchem Survival motor neuron protein (34246 Activities)

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HPGD Tchem 15-hydroxyprostaglandin dehydrogenase [NAD+] (24926 Activities)

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Mapk1 MAP kinase ERK2 (650 Activities)

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Luciferin 4-monooxygenase (66902 Activities)

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Mapt Microtubule-associated protein tau (6 Activities)

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NS1 Nonstructural protein 1 (33327 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• DMSO (mM) Solubilité maximale: 10
• Poids moléculaire: 415.500 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 415.147 Da
• Monoisotopic Mass: 415.147 Da
• Topological Polar Surface Area: 82.500 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 578.000
• 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