WAY-297587 - 10mM in DMSO , CAS No.86109-43-5

CAS: 86109-43-5 Cat. No.: W426396 Formula: C₁₅H₁₂N₂O₂S Peso molecolare: 284.33 PubChem CID: 687333

QUALITÀ & PUREZZA 10mM in DMSO

Synonyms

86109-43-5|2-(1,3-benzoxazol-2-ylsulfanyl)-N-phenylacetamide|CBMicro_018650|Acetamide, 2-(2-benzoxazolylthio)-N-phenyl-|2-(Benzo[d]oxazol-2-ylthio)-N-phenylacetamide|Cambridge id 5344655|Oprea1_266652|Oprea1_320948|MLS000106252|CHEMBL1409084|SCHEMBL124872

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Panoramica

Anti-infection ; antibiotic tolerance inhibitors; altering the lifespan of a eukaryotic organism;

Specifiche

Sinonimi

86109-43-5 | 2-(1,3-benzoxazol-2-ylsulfanyl)-N-phenylacetamide | CBMicro_018650 | Acetamide, 2-(2-benzoxazolylthio)-N-phenyl- | 2-(Benzo[d]oxazol-2-ylthio)-N-phenylacetamide | Cambridge id 5344655 | Oprea1_266652 | Oprea1_320948 | MLS000106252 | CHEMBL1409084 | SCHEMBL124872

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

3.075

Conteggio HBD

1

Legame rotabile

4

Nomi e identificatori

Sorrisi canonici

C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3O2

IUPAC Name

2-(1,3-benzoxazol-2-ylsulfanyl)-N-phenylacetamide

InChIKey

YMSYXWPCDBRESY-UHFFFAOYSA-N

INCHI

1S/C15H12N2O2S/c18-14(16-11-6-2-1-3-7-11)10-20-15-17-12-8-4-5-9-13(12)19-15/h1-9H,10H2,(H,16,18)

Isomeri SMILES

C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3O2

PubChem CID

687333

Peso molecolare

284.33

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzoxazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzoxazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoxazoles
• Alternative Parents: Anilides N-arylamides Alkylarylthioethers Oxazoles Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzoxazole - Anilide - Aryl thioether - N-arylamide - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Azole - Oxazole - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Oxacycle - Thioether - Sulfenyl compound - Azacycle - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Carbonyl group - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as benzoxazoles. These are organic compounds containing a benzene fused to an oxazole ring Oxazole is five-membered aromatic ring with a nitrogen and an oxygen atoms at the 1- and 3-position, respectively.
• 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

Obiettivi associati (umani)

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

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

POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

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

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

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

ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)

Discover Target: ATAD5

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

ATXN2 Tbio Ataxin-2 (54410 Activities)

Discover Target: ATXN2

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

Obiettivi associati (non umani)

Plasmodium falciparum (966862 Activities)

Explore this target

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

Luciferin 4-monooxygenase (66902 Activities)

Explore this target

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

NS1 Nonstructural protein 1 (33327 Activities)

Discover Target: NS1

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• DMSO (mM) Solubilità massima: 10
• Peso molecolare: 284.300 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 284.062 Da
• Monoisotopic Mass: 284.062 Da
• Topological Polar Surface Area: 80.400 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 334.000
• 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