KKL-10 - 2mM in DMSO , CAS No.952849-76-2

CAS: 952849-76-2 Cat. No.: K427067 분자식: C₁₄H₁₀BrN₃O₂S 분자량: 364.22 PubChem CID: 16854524

GRADE & PURITY 2mM in DMSO

Synonyms

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

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

개요

Information

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

Targets

ribosome rescue

Specifications

동의어

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

사양 및 순도

2mM in DMSO

생화학 및 생리적 메커니즘

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

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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작업 유형

INHIBITOR

제품 특성

ALogP

3.463

HBD 수

1

회전 가능한 결합

3

이름과 식별자

정식 스마일

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)

이성체 SMILES

CC1=CC=C(C=C1)C2=NN=C(O2)NC(=O)C3=CC=C(S3)Br

PubChem CID

16854524

분자량

364.22

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• DMSO(mg/mL) 최대 용해도: 3
• DMSO(mM) 최대 용해도: 8.23677996815112
• 물(mg/mL) 최대 용해도: ＜1
• 분자량: 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

자주 묻는 질문

How should this product be stored?

Store at ?80 °C. Ultra-low temperature storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships frozen with dry ice and cold packs. Unpack on arrival and transfer it to the storage condition stated above; handle dry ice with insulated gloves in a ventilated area.

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.