WAY-608248 - 10mM in DMSO , CAS No.308297-79-2

CAS: 308297-79-2 Cat. No.: W423187 Summenformel: C₂₃H₂₃N₃O₃S Molekulargewicht: 421.51 EG-Nummer: 140-523-2 PubChem CID: 5349594

GRADE & PURITY 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Übersicht

Skp2 inhibitor

Specifications

Spezifikationen & Reinheit

10mM in DMSO

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Produkteigenschaften

ALogP

3.659

HBD-Zahl

1

Rotationsfähige Bindung

3

Namen und Kennungen

Kanonisches Lächeln

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)CN3CCN(CC3)C)C4=NC5=CC=CC=C5S4

IUPAC Name

3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-methyl-8-[(4-methylpiperazin-1-yl)methyl]chromen-4-one

InChIKey

PBWPKUFFCSSKOM-UHFFFAOYSA-N

INCHI

1S/C23H23N3O3S/c1-14-20(23-24-17-5-3-4-6-19(17)30-23)21(28)15-7-8-18(27)16(22(15)29-14)13-26-11-9-25(2)10-12-26/h3-8,27H,9-13H2,1-2H3

Isomere SMILES

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)CN3CCN(CC3)C)C4=NC5=CC=CC=C5S4

PubChem CID

5349594

Molekulargewicht

421.51

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Benzopyrans
      • Subclass 1-benzopyrans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Not available
• Direct Parent: Chromones
• Alternative Parents: Benzothiazoles Pyranones and derivatives N-methylpiperazines Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Thiazoles Heteroaromatic compounds Trialkylamines Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Chromone - 1,3-benzothiazole - Pyranone - 1-hydroxy-2-unsubstituted benzenoid - N-methylpiperazine - N-alkylpiperazine - Phenol - Aralkylamine - Pyran - 1,4-diazinane - Benzenoid - Piperazine - Azole - Heteroaromatic compound - Thiazole - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Azacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as chromones. These are compounds containing a benzopyran-4-one moiety.
• 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

Chemische und physikalische Eigenschaften

• DMSO (mM) Maximale Löslichkeit: 10
• Molekulargewicht: 421.500 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 421.146 Da
• Monoisotopic Mass: 421.146 Da
• Topological Polar Surface Area: 94.100 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 693.000
• 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