Azoramide - Moligand™, ≥98% , CAS No.932986-18-0

CAS: 932986-18-0 Cat. No.: A195910 Formula: C₁₅H₁₇ClN₂OS Molecular Weight: 308.83

GRADE & PURITY Moligand™, ≥98%

Synonyms

CCG-267569 | BRD-K67416388-001-01-3 | N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]butanamide | SCHEMBL21523880 | Azoramide, >=98% (HPLC) | NCGC00484058-03 | s8304 | BCP23896 | NCGC00484058-01 | N-{2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl}butanamid

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

CCG-267569 | BRD-K67416388-001-01-3 | N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]butanamide | SCHEMBL21523880 | Azoramide, >=98% (HPLC) | NCGC00484058-03 | s8304 | BCP23896 | NCGC00484058-01 | N-{2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl}butanamid

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

Modulator of unfolded protein response (UPR). Protects cells from ER stress by improving ER protein folding and activating ER chaperone capacity. Also improves ER calcium retention. Improves liver ER function, glucose homeostasis and glucose-stimulated in

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.

Grade

Moligand™

Purity

≥98%

Names and Identifiers

Pubchem Sid

508810805

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508810805

Canonical Smiles

CCCC(=O)NCCC1=CSC(=N1)C2=CC=C(C=C2)Cl

IUPAC Name

N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]butanamide

InChIKey

VYBFWKKCWTXCQX-UHFFFAOYSA-N

INCHI

1S/C15H17ClN2OS/c1-2-3-14(19)17-9-8-13-10-20-15(18-13)11-4-6-12(16)7-5-11/h4-7,10H,2-3,8-9H2,1H3,(H,17,19)

Isomeric SMILES

CCCC(=O)NCCC1=CSC(=N1)C2=CC=C(C=C2)Cl

Molecular Weight

308.83

Reaxy-Rn

34161097

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=34161097&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles
      • Subclass Thiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Thiazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: 2,4-disubstituted thiazoles
• Alternative Parents: Chlorobenzenes N-acyl amines Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,4-disubstituted 1,3-thiazole - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Fatty amide - N-acyl-amine - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organochloride - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 2,4-disubstituted thiazoles. These are compounds containing a thiazole ring substituted at the positions 2 and 3.
• 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: Solvent:DMSO, Max Conc. mg/mL: 30.88, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 30.88, Max Conc. mM: 100
• Molecular Weight: 308.800 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 308.075 Da
• Monoisotopic Mass: 308.075 Da
• Topological Polar Surface Area: 70.200 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 308.000
• 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