WAY-332065 - ≥95% , CAS No.958937-93-4

CAS: 958937-93-4 Cat. No.: W417435 Formule: C₂₁H₂₂N₂O₃S Poids moléculaire: 382.48 PubChem CID: 5309840

GRADE & PURITY ≥95%

Synonyms

Acetamide | 2-[[[5-methyl-2-(2-methylphenyl)-4-oxazolyl]methyl]sulfinyl]-N-(phenylmethyl)-

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

beta-catenin modulator; altering the lifespan of a eukaryotic organism;

Specifications

Synonymes

Acetamide | 2-[[[5-methyl-2-(2-methylphenyl)-4-oxazolyl]methyl]sulfinyl]-N-(phenylmethyl)-

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Protected from light,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

≥95%

Propriétés du produit

ALogP

2.579

Nombre de HBD

1

Liaison rotative

7

Noms et identifiants

Pubchem Sid

504763531

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504763531

Sourires canoniques

CC1=CC=CC=C1C2=NC(=C(O2)C)CS(=O)CC(=O)NCC3=CC=CC=C3

IUPAC Name

N-benzyl-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide

InChIKey

BCLKRTYNEDFGBE-UHFFFAOYSA-N

INCHI

1S/C21H22N2O3S/c1-15-8-6-7-11-18(15)21-23-19(16(2)26-21)13-27(25)14-20(24)22-12-17-9-4-3-5-10-17/h3-11H,12-14H2,1-2H3,(H,22,24)

Isomères SMILES

CC1=CC=CC=C1C2=NC(=C(O2)C)CS(=O)CC(=O)NCC3=CC=CC=C3

PubChem CID

5309840

Poids moléculaire

382.48

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: 2,4,5-trisubstituted oxazoles Toluenes Heteroaromatic compounds Sulfoxides Secondary carboxylic acid amides Sulfinyl compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenyl-1,3-oxazole - 2,4,5-trisubstituted 1,3-oxazole - Toluene - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Sulfoxide - Carboxylic acid derivative - Oxacycle - Azacycle - Sulfinyl compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Carbonyl group - Organic oxide - Aromatic heteromonocyclic 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)

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

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

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

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

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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

Cibles associées (non humaines)

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

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

Plasmodium falciparum (966862 Activities)

Explore this target

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

TGR Thioredoxin glutathione reductase (28579 Activities)

Discover Target: TGR

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

Mapt Microtubule-associated protein tau (6 Activities)

Discover Target: Mapt

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

Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: Light sensitive
• DMSO (mM) Solubilité maximale: 10

Foire aux questions

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

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 958937-93-4, the molecular formula is C21H22N2O3S, and the molecular weight is 382.48 g/mol. InChIKey BCLKRTYNEDFGBE-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.