KKL-10 - ≥98% , CAS No.952849-76-2

CAS: 952849-76-2 Cat. No.: K412204 Summenformel: C₁₄H₁₀BrN₃O₂S Molekulargewicht: 364.22 PubChem CID: 16854524

GRADE & PURITY ≥98%

Synonyms

5-bromo-N-(5-(p-tolyl)-1,3,4-oxadiazol-2-yl)thiophene-2-carboxamide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Information

KKL-10 KKL-10 is an inhibitor of ribosome rescue that exhibits exceptional broad-spectrum antimicrobial activity against bacteria.

Targets

ribosome rescue

Specifications

Synonyme

5-bromo-N-(5-(p-tolyl)-1,3,4-oxadiazol-2-yl)thiophene-2-carboxamide

Spezifikationen & Reinheit

≥98%

Biochemische und physiologische Mechanismen

KKL-10 is an inhibitor of ribosome rescue that exhibits exceptional broad-spectrum antimicrobial activity against bacteria.

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Produkteigenschaften

• ALogP: 3.463
• HBD-Zahl: 1
• Rotationsfähige Bindung: 3

Namen und Kennungen

• Pubchem Sid: 504768544
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768544
• Kanonisches Lächeln: CC1=CC=C(C=C1)C2=NN=C(O2)NC(=O)C3=CC=C(S3)Br
• IUPAC Name: 5-bromo-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
• InChIKey: QKSDWSBGDVYRKQ-UHFFFAOYSA-N
• INCHI: 1S/C14H10BrN3O2S/c1-8-2-4-9(5-3-8)13-17-18-14(20-13)16-12(19)10-6-7-11(15)21-10/h2-7H,1H3,(H,16,18,19)
• Isomere SMILES: CC1=CC=C(C=C1)C2=NN=C(O2)NC(=O)C3=CC=C(S3)Br
• PubChem CID: 16854524
• Molekulargewicht: 364.22

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Thiophenes
      • Subclass 2,5-disubstituted thiophenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Thiophenes
• Subclass: 2,5-disubstituted thiophenes
• Intermediate Tree Nodes: Not available
• Direct Parent: 2,5-disubstituted thiophenes
• Alternative Parents: Benzene and substituted derivatives Heteroaromatic compounds 1,3,4-oxadiazoles Thioenol ethers Vinyl bromides Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Carboximidic acids Bromoalkenes Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,5-disubstituted thiophene - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Oxadiazole - Azole - 1,3,4-oxadiazole - Thioenolether - Oxacycle - Azacycle - Bromoalkene - Haloalkene - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Vinyl halide - Vinyl bromide - Carboximidic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as 2,5-disubstituted thiophenes. These are organic compounds containing a thiophene that is disubstituted at the C-2, and C5-positions.
• 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Solubility (25°C) In vitro DMSO: 3 mg/mL (8.23 mM); Water: Insoluble; Ethanol: Insoluble
• DMSO (mg/ml) Maximale Löslichkeit: 3
• DMSO (mM) Maximale Löslichkeit: 8.23677996815112
• Wasser (mg/ml) Maximale Löslichkeit: ＜1
• Molekulargewicht: 364.220 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 362.968 Da
• Monoisotopic Mass: 362.968 Da
• Topological Polar Surface Area: 96.300 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 379.000
• 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

Häufig gestellte Fragen

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 952849-76-2, the molecular formula is C14H10BrN3O2S, and the molecular weight is 364.22 g/mol. InChIKey QKSDWSBGDVYRKQ-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.