2-(4-Chlorophenyl)-1H-indole - ≥98% , CAS No.1211-35-4

CAS: 1211-35-4 Cat. No.: C405502 Fórmula: C₁₄H₁₀ClN Peso molecular: 227.69 Número CE: 878-429-5

GRADE & PURITY ≥98%

Synonyms

cid_220463 | 2-(p-Chlorphenyl)-indol | AMY25544 | 2-(4-chlorophenyl)-indole | SCHEMBL3246467 | A18131 | J-505956 | SR-01000641734-1 | HMS2389J09 | InChI=1/C13H8Br2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8 | 2-(4-chloro-phenyl)-1H-indole | 2-(4-

Storage

Room temperature

Visão geral

Maximum Absorption Wavelength:315(MeOH)nm

Specifications

Sinónimos

cid_220463 | 2-(p-Chlorphenyl)-indol | AMY25544 | 2-(4-chlorophenyl)-indole | SCHEMBL3246467 | A18131 | J-505956 | SR-01000641734-1 | HMS2389J09 | InChI=1/C13H8Br2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8 | 2-(4-chloro-phenyl)-1H-indole | 2-(4-

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

488188665

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488188665

Sorrisos canónicos

C1=CC=C2C(=C1)C=C(N2)C3=CC=C(C=C3)Cl

IUPAC Name

2-(4-chlorophenyl)-1H-indole

InChIKey

KDNXKQSAAZNUCK-UHFFFAOYSA-N

INCHI

1S/C14H10ClN/c15-12-7-5-10(6-8-12)14-9-11-3-1-2-4-13(11)16-14/h1-9,16H

SMILES isoméricas

C1=CC=C2C(=C1)C=C(N2)C3=CC=C(C=C3)Cl

Peso molecular

227.69

Reaxy-Rn

152299

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=152299&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-phenylindoles
• Alternative Parents: Phenylpyrroles Chlorobenzenes Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2-phenylindole - 2-phenylpyrrole - Chlorobenzene - Halobenzene - Benzenoid - Substituted pyrrole - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Pyrrole - Heteroaromatic compound - Azacycle - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as 2-phenylindoles. These are indoles substituted at the 2-position with a phenyl 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

Alvos associados (humanos)

CYP1A2 Tchem Cytochrome P450 1A2 (1 Activities)

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CYP19A1 Tclin Cytochrome P450 19A1 (6099 Activities)

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AKR1B1 Tclin Aldose reductase (1404 Activities)

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CASP3 Tchem Caspase-3 (3632 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

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GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

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CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

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CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

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CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

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TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

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HEK293 (82097 Activities)

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HepG2 (196354 Activities)

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HeLa (62764 Activities)

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POLI Tchem DNA polymerase iota (116820 Activities)

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Liver (3974 Activities)

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SNCA Tchem Alpha-synuclein (10960 Activities)

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KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)

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HPGD Tchem 15-hydroxyprostaglandin dehydrogenase [NAD+] (24926 Activities)

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NPC1 Tchem Niemann-Pick C1 protein (18985 Activities)

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RAB9A Tbio Ras-related protein Rab-9A (22488 Activities)

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microRNA 21 (64692 Activities)

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SENP8 Tchem Sentrin-specific protease 8 (1687 Activities)

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ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)

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SENP7 Tchem Sentrin-specific protease 7 (1073 Activities)

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SENP6 Tchem Sentrin-specific protease 6 (1074 Activities)

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ATXN2 Tbio Ataxin-2 (54410 Activities)

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MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)

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Alvos associados (não humanos)

Cruzipain (33337 Activities)

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Pseudomonas aeruginosa (123386 Activities)

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Staphylococcus aureus (210822 Activities)

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Acinetobacter baumannii (41033 Activities)

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Enterococcus faecalis (29875 Activities)

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Plasmodium falciparum (966862 Activities)

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Candida albicans (78123 Activities)

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H4 (48 Activities)

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Luciferin 4-monooxygenase (66902 Activities)

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Nqo1 NAD(P)H dehydrogenase [quinone] 1 (1058 Activities)

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Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

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Mapt Microtubule-associated protein tau (6 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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NS1 Nonstructural protein 1 (33327 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Ponto de fusão (°C): 206 °C
• Peso molecular: 227.690 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 227.05 Da
• Monoisotopic Mass: 227.05 Da
• Topological Polar Surface Area: 15.800 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 235.000
• 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

Perguntas frequentes

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 room temperature.

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

The CAS Number is 1211-35-4, the molecular formula is C14H10ClN, and the molecular weight is 227.69 g/mol. InChIKey KDNXKQSAAZNUCK-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.