WAY-638487 - 10mM in DMSO , CAS No.796067-84-0

CAS: 796067-84-0 Cat. No.: W426036 Formula: C₁₈H₁₉ClN₂O₃S Peso molecolare: 378.87 PubChem CID: 2455058

GRADE & PURITY 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Panoramica

anti negative-sense ssRNA virus infections

Specifications

Specifiche e purezza

10mM in DMSO

Condizioni di conservazione di stoccaggio

Store at -80°C

Spedito in

Dry ice packs + Cold packs

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

Proprietà del prodotto

ALogP

4.461

Conteggio HBD

2

Legame rotabile

4

Nomi e identificatori

Sorrisi canonici

COC1=CC(=CC(=C1O)O)C(=S)N2CCN(CC2)C3=CC=CC=C3Cl

IUPAC Name

[4-(2-chlorophenyl)piperazin-1-yl]-(3,4-dihydroxy-5-methoxyphenyl)methanethione

InChIKey

BUROKOGOWXVRCQ-UHFFFAOYSA-N

INCHI

1S/C18H19ClN2O3S/c1-24-16-11-12(10-15(22)17(16)23)18(25)21-8-6-20(7-9-21)14-5-3-2-4-13(14)19/h2-5,10-11,22-23H,6-9H2,1H3

Isomeri SMILES

COC1=CC(=CC(=C1O)O)C(=S)N2CCN(CC2)C3=CC=CC=C3Cl

PubChem CID

2455058

Peso molecolare

378.87

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: Phenylpiperazines
• Alternative Parents: N-arylpiperazines Methoxyphenols Aniline and substituted anilines Anisoles Catechols Dialkylarylamines Methoxybenzenes Phenoxy compounds 1-hydroxy-2-unsubstituted benzenoids Chlorobenzenes Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids Aryl chlorides Thioamides Azacyclic compounds Thiocarboxylic acid amides Hydrocarbon derivatives Thiocarbonyl compounds Organochlorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpiperazine - N-arylpiperazine - Methoxyphenol - Anisole - Phenoxy compound - Catechol - Phenol ether - Tertiary aliphatic/aromatic amine - Methoxybenzene - Aniline or substituted anilines - Dialkylarylamine - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - Chlorobenzene - Halobenzene - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Aryl halide - Monocyclic benzene moiety - Aryl chloride - Thioamide - Tertiary amine - Thiocarboxylic acid amide - Azacycle - Ether - Hydrocarbon derivative - Organohalogen compound - Organic nitrogen compound - Amine - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Thiocarbonyl group - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl 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

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Meccanismi d'azione

Proprietà chimiche e fisiche

• DMSO (mM) Solubilità massima: 10