3-Formyl-7-azaindole - ≥97% , CAS No.4649-09-6

CAS: 4649-09-6 Cat. No.: F133713 Molecular Weight: 146.15 EC Number: 626-235-4

GRADE & PURITY ≥97%

Synonyms

7-Azaindole-3-carboxaldehyde | SCHEMBL257134 | 1H-pyrrolo[2,3-b]pyridin-3-carbaldehyde | SY018104 | 2-Diethoxy-phosphinylthioethyl-trimethylammonium iodide | 7-AZAINDOLE-3-CARBALDEHYDE | FT-0601832 | HMS2886E05 | W-200591 | 7-Azaindole-3-carboxaldeyde | 1

Storage

Room temperature

Shipped In

Normal

Overview

Useful starter in 7-azaindole chemistry9,10,11

Specifications

Synonyms

7-Azaindole-3-carboxaldehyde | SCHEMBL257134 | 1H-pyrrolo[2, 3-b]pyridin-3-carbaldehyde | SY018104 | 2-Diethoxy-phosphinylthioethyl-trimethylammonium iodide | 7-AZAINDOLE-3-CARBALDEHYDE | FT-0601832 | HMS2886E05 | W-200591 | 7-Azaindole-3-carboxaldeyde | 1

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488195494
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195494
• Canonical Smiles: C1=CC2=C(NC=C2C=O)N=C1
• IUPAC Name: 1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
• InChIKey: KAIWRKYDYWYFIT-UHFFFAOYSA-N
• INCHI: 1S/C8H6N2O/c11-5-6-4-10-8-7(6)2-1-3-9-8/h1-5H,(H,9,10)
• Isomeric SMILES: C1=CC2=C(NC=C2C=O)N=C1
• WGK Germany: 3
• Molecular Weight: 146.15
• Reaxy-Rn: 118829
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=118829&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrrolopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrrolopyridines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolopyridines
• Alternative Parents: Aryl-aldehydes Substituted pyrroles Pyridines and derivatives Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrrolopyridine - Aryl-aldehyde - Pyridine - Substituted pyrrole - Heteroaromatic compound - Vinylogous amide - Pyrrole - Azacycle - Organic oxygen compound - Organic nitrogen compound - Aldehyde - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrrolopyridines. These are compounds containing a pyrrolopyridine moiety, which consists of a pyrrole ring fused to a pyridine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.
• 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

Associated Targets(Human)

SLC6A1 Tclin GABA transporter 1 (308 Activities)

Discover Target: SLC6A1

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PIM1 Tchem Serine/threonine-protein kinase PIM1 (9629 Activities)

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PTPRB Tchem Receptor-type tyrosine-protein phosphatase beta (330 Activities)

Discover Target: PTPRB

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APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

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HASPIN Tchem Serine/threonine-protein kinase haspin (906 Activities)

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KMT2A Tchem Histone-lysine N-methyltransferase MLL (17327 Activities)

Discover Target: KMT2A

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CDK5 Tchem Cyclin-dependent kinase 5/CDK5 activator 1 (3697 Activities)

Discover Target: CDK5

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GSK3A Tclin Glycogen synthase kinase-3 (736 Activities)

Discover Target: GSK3A

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CCNT1 Tchem CDK9/cyclin T1 (2643 Activities)

Discover Target: CCNT1

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CDK2 Tchem CDK2/Cyclin A2 (2260 Activities)

Discover Target: CDK2

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Associated Targets(non-human)

Pseudomonas aeruginosa (123386 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Staphylococcus aureus (210822 Activities)

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Acinetobacter baumannii (41033 Activities)

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Escherichia coli (133304 Activities)

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Plasmodium falciparum (966862 Activities)

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Cryptococcus neoformans (21258 Activities)

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Candida albicans (78123 Activities)

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CSNK1D Casein kinase 1, delta tv1 (43 Activities)

Discover Target: CSNK1D

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Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 216-220 °C
• Molecular Weight: 146.150 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 146.048 Da
• Monoisotopic Mass: 146.048 Da
• Topological Polar Surface Area: 45.800 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 160.000
• 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