PC-190723 - Moligand™,≥98% , CAS No.951120-33-5

CAS: 951120-33-5 Cat. No.: P1064469 Molecular Weight: 355.75 PubChem CID: 25016417

GRADE & PURITY Moligand™, ≥98%

Synonyms

3-((6-Chlorothiazolo[5,4-b]pyridin-2-yl)methoxy)-2,6-difluorobenzamide | PC190723 | PC 190723

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

PC190723 is a bacterial cell division protein FtsZ inhibitor (IC₅₀ = 55 nM). PC 190723 prevents cell division. PC190723 has potent and selective bactericidal activity against staphylococci, including methicillin- and multi-drug-resistant Staphylococcus aureus. PC190723 induces nucleated assembly of Bs-FtsZ into single-stranded coiled protofilaments and polymorphic condensates. PC190723 can be studied in anti-bacterial infection research.

Specifications

Synonyms

3-((6-Chlorothiazolo[5, 4-b]pyridin-2-yl)methoxy)-2, 6-difluorobenzamide | PC190723 | PC 190723

Specifications & Purity

Moligand™, ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CC(=C(C(=C1OCC2=NC3=C(S2)N=CC(=C3)Cl)F)C(=O)N)F
• IUPAC Name: 3-[(6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzamide
• InChIKey: INYJNSBDHOVLAH-UHFFFAOYSA-N
• INCHI: 1S/C14H8ClF2N3O2S/c15-6-3-8-14(19-4-6)23-10(20-8)5-22-9-2-1-7(16)11(12(9)17)13(18)21/h1-4H,5H2,(H2,18,21)
• Isomeric SMILES: C1=CC(=C(C(=C1OCC2=NC3=C(S2)N=CC(=C3)Cl)F)C(=O)N)F
• PubChem CID: 25016417
• Molecular Weight: 355.75

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Halobenzoic acids and derivatives
          • Level6 2-halobenzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Halobenzoic acids and derivatives
• Direct Parent: 2-halobenzoic acids and derivatives
• Alternative Parents: Benzamides Benzoyl derivatives Phenol ethers Phenoxy compounds Fluorobenzenes Alkyl aryl ethers Aryl fluorides Aryl chlorides Pyridines and derivatives Heteroaromatic compounds Vinylogous halides Thiazoles Primary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2-halobenzoic acid or derivatives - Benzamide - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Halobenzene - Fluorobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Pyridine - Heteroaromatic compound - Thiazole - Azole - Vinylogous halide - Primary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organofluoride - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.
• 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

• Molecular Weight: 355.700 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 354.999 Da
• Monoisotopic Mass: 354.999 Da
• Topological Polar Surface Area: 106.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 450.000
• 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