WAY-332075 - ≥98% , CAS No.1015865-22-1

CAS: 1015865-22-1 Cat. No.: W417443 Formule: C₂₁H₁₉ClN₂O₅S Poids moléculaire: 446.9 PubChem CID: 20860526

QUALITÉ & PURETÉ ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

beta-catenin modulator;

Spécifications

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

2.525

Nombre de HBD

1

Liaison rotative

7

Noms et identifiants

Pubchem Sid

504768955

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504768955

Sourires canoniques

CC1=C(N=C(O1)C2=CC=CC=C2Cl)CS(=O)CC(=O)NCC3=CC4=C(C=C3)OCO4

IUPAC Name

N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide

InChIKey

MWHRWWDGXGKCSG-UHFFFAOYSA-N

INCHI

1S/C21H19ClN2O5S/c1-13-17(24-21(29-13)15-4-2-3-5-16(15)22)10-30(26)11-20(25)23-9-14-6-7-18-19(8-14)28-12-27-18/h2-8H,9-12H2,1H3,(H,23,25)

Isomères SMILES

CC1=C(N=C(O1)C2=CC=CC=C2Cl)CS(=O)CC(=O)NCC3=CC4=C(C=C3)OCO4

PubChem CID

20860526

Poids moléculaire

446.9

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Azoles
      • Subclass Oxazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azoles
• Subclass: Oxazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenyl-1,3-oxazoles
• Alternative Parents: Benzodioxoles 2,4,5-trisubstituted oxazoles Chlorobenzenes Aryl chlorides Heteroaromatic compounds Sulfoxides Secondary carboxylic acid amides Sulfinyl compounds Oxacyclic compounds Acetals Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenyl-1,3-oxazole - Benzodioxole - 2,4,5-trisubstituted 1,3-oxazole - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Sulfoxide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Sulfinyl compound - Acetal - Azacycle - Oxacycle - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenyl-1,3-oxazoles. These are aromatic heterocyclic compounds containing a 1,3-oxazole substituted at one or more positions by 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

Cibles associées (humaines)

GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

Discover Target: GNAS

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Cibles associées (non humaines)

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

FTL Ferritin light chain (43324 Activities)

Discover Target: FTL

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mécanismes d'action

Propriétés chimiques et physiques

• DMSO (mM) Solubilité maximale: 10

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1015865-22-1, the molecular formula is C21H19ClN2O5S, and the molecular weight is 446.9 g/mol. InChIKey MWHRWWDGXGKCSG-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.