MUT056399 - Moligand™ , CAS No.1269055-85-7

CAS: 1269055-85-7 Cat. No.: M612117 PubChem CID: 44208849

QUALITÀ & PUREZZA Moligand™

Synonyms

SCHEMBL1498707 | GTPL11000 | Z3041517295 | QUHARGDBJJUOEB-UHFFFAOYSA-N | RQN | BCP24828 | 1269055-85-7 | BDBM50399407 | MUT056399 | MUT-056399 | 4-(4-ethyl-5-fluoranyl-2-oxidanyl-phenoxy)-3-fluoranyl-benzamide | HY-18169 | FAB001 | FAB-001 | MS-24189 | Be

Storage

Room temperature

Specifiche

Sinonimi

SCHEMBL1498707 | GTPL11000 | Z3041517295 | QUHARGDBJJUOEB-UHFFFAOYSA-N | RQN | BCP24828 | 1269055-85-7 | BDBM50399407 | MUT056399 | MUT-056399 | 4-(4-ethyl-5-fluoranyl-2-oxidanyl-phenoxy)-3-fluoranyl-benzamide | HY-18169 | FAB001 | FAB-001 | MS-24189 | Be

Specifiche e purezza

Moligand™

Condizioni di conservazione di stoccaggio

Room temperature

Grado

Moligand™

Tipo di azione

INHIBITOR

Nomi e identificatori

Sorrisi canonici

CCc1cc(O)c(cc1F)Oc1ccc(cc1F)C(=O)N

IUPAC Name

4-(4-ethyl-5-fluoro-2-hydroxyphenoxy)-3-fluorobenzamide

InChIKey

QUHARGDBJJUOEB-UHFFFAOYSA-N

INCHI

1S/C15H13F2NO3/c1-2-8-6-12(19)14(7-10(8)16)21-13-4-3-9(15(18)20)5-11(13)17/h3-7,19H,2H2,1H3,(H2,18,20)

Isomeri SMILES

CCC1=CC(=C(C=C1F)OC2=C(C=C(C=C2)C(=O)N)F)O

PubChem CID

44208849

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Diphenylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylethers
• Alternative Parents: Diarylethers 3-halobenzoic acids and derivatives Benzamides Phenoxy compounds Phenol ethers P-fluorophenols Benzoyl derivatives Fluorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl fluorides Primary carboxylic acid amides Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylether - Diaryl ether - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzamide - Phenoxy compound - Phenol ether - 4-fluorophenol - Benzoyl - 4-halophenol - Fluorobenzene - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Phenol - Aryl halide - Aryl fluoride - Carboxamide group - Primary carboxylic acid amide - Carboxylic acid derivative - Ether - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
• 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)

ALB Tchem Serum albumin (2651 Activities)

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HEK293 (82097 Activities)

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Obiettivi associati (non umani)

fabI Enoyl-[acyl-carrier-protein] reductase (206 Activities)

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fabI Enoyl-[acyl-carrier-protein] reductase (FabI) (397 Activities)

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Hdac6 Histone deacetylase 6 (222 Activities)

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Streptococcus pneumoniae (31063 Activities)

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Pseudomonas aeruginosa (123386 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Staphylococcus aureus (210822 Activities)

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Staphylococcus epidermidis (22802 Activities)

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Staphylococcus haemolyticus (1695 Activities)

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Acinetobacter baumannii (41033 Activities)

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Moraxella catarrhalis (3334 Activities)

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Neisseria gonorrhoeae (1461 Activities)

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Neisseria meningitidis (411 Activities)

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Escherichia coli (133304 Activities)

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Proteus mirabilis (3894 Activities)

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Haemophilus influenzae (8812 Activities)

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Enterococcus faecalis (29875 Activities)

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Cryptococcus neoformans (21258 Activities)

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Candida albicans (78123 Activities)

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Canis familiaris (36305 Activities)

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Mus musculus (284745 Activities)

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Rattus norvegicus (775804 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Brain (1 Activities)

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Plasma (328 Activities)

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Heart (171 Activities)

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Lung (9 Activities)

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Kidney (1278 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 293.260 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 293.086 Da
• Monoisotopic Mass: 293.086 Da
• Topological Polar Surface Area: 72.600 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 369.000
• 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

Domande frequenti

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1269055-85-7. InChIKey QUHARGDBJJUOEB-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.