GRADE & PURITY ≥98%

Synonyms

8-Phenyl-2-(1-piperazinyl)-4H-1-benzopyran-4-one | AC-32894 | CCG-206767 | HY-15643 | FT-0755982 | HMS3229G19 | NCGC00161407-03 | Q27082883 | 8-phenyl-2-piperazin-1-ylchromen-4-one | 4H-1-Benzopyran-4-one, 8-phenyl-2-(1-piperazinyl)- | LY 303511 - CAS 154

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

8-Phenyl-2-(1-piperazinyl)-4H-1-benzopyran-4-one | AC-32894 | CCG-206767 | HY-15643 | FT-0755982 | HMS3229G19 | NCGC00161407-03 | Q27082883 | 8-phenyl-2-piperazin-1-ylchromen-4-one | 4H-1-Benzopyran-4-one, 8-phenyl-2-(1-piperazinyl)- | LY 303511 - CAS 154

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Negative control for LY 294002. PI3K inhibitory activity. Inhibits voltage-gated K v channel activity (IC 50 = 64.6 μM).

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

ACTIVATOR

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1CN(CCN1)C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC=C4.Cl
• IUPAC Name: 8-phenyl-2-piperazin-1-ylchromen-4-one;hydrochloride
• InChIKey: QGVSIVYHHKLHPY-UHFFFAOYSA-N
• INCHI: 1S/C19H18N2O2.ClH/c22-17-13-18(21-11-9-20-10-12-21)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14;/h1-8,13,20H,9-12H2;1H
• Isomeric SMILES: C1CN(CCN1)C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC=C4.Cl
• Alternate CAS: 54447-38-8(free base)
• PubChem CID: 78357796
• Molecular Weight: 342.82

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-arylpiperazines
• Alternative Parents: Chromones Dialkylarylamines Pyranones and derivatives Benzene and substituted derivatives Vinylogous amides Heteroaromatic compounds Oxacyclic compounds Dialkylamines Azacyclic compounds Organooxygen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-arylpiperazine - Chromone - Benzopyran - 1-benzopyran - Dialkylarylamine - Pyranone - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Vinylogous amide - Secondary aliphatic amine - Oxacycle - Secondary amine - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Hydrochloride - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl group.
• 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

Chemical and Physical Properties

• Solubility: Soluble in DMSO to 100 mM, in ethanol to 100 mM and in 1 eq. HCl to 100 mM
• Sensitivity: Moisture sensitive
• Molecular Weight: 342.800 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 342.114 Da
• Monoisotopic Mass: 342.114 Da
• Topological Polar Surface Area: 41.600 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 464.000
• 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: 2

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