GRADE & PURITY ≥97%

Synonyms

Dammar-24-ene-3,12,20-triol, (3beta,12beta)- | 6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one | R5N9CD7DLM | 2-FORMYLINDOLE | indole-2-carbaldehyde | AM803433 | CF-0774 | W-206402 | 2-formyl in

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

A useful starter in indole and natural product chemistry

Specifications

Sinónimos

Dammar-24-ene-3, 12, 20-triol, (3beta, 12beta)- | 6-[[5-fluoro-2-(3, 4, 5-trimethoxyanilino)pyrimidin-4-yl]amino]-2, 2-dimethyl-4H-pyrido[3, 2-b][1, 4]oxazin-3-one | R5N9CD7DLM | 2-FORMYLINDOLE | indole-2-carbaldehyde | AM803433 | CF-0774 | W-206402 | 2-formyl in

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504756317
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756317
• Sonrisas canónicas: C1=CC=C2C(=C1)C=C(N2)C=O
• IUPAC Name: 1H-indole-2-carbaldehyde
• InChIKey: SBNOTUDDIXOFSN-UHFFFAOYSA-N
• INCHI: 1S/C9H7NO/c11-6-8-5-7-3-1-2-4-9(7)10-8/h1-6,10H
• Isómeros SMILES: C1=CC=C2C(=C1)C=C(N2)C=O
• WGK Alemania: 3
• Peso molecular: 145.16
• Reaxy-Rn: 114171
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=114171&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Indoles
• Alternative Parents: Aryl-aldehydes Substituted pyrroles Benzenoids Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indole - Aryl-aldehyde - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Azacycle - Aldehyde - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.
• 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

Objetivos asociados (no humanos)

SARS coronavirus 3C-like proteinase (333 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in Methanol.
• Sensibilidad: air sensitive
• Punto de fusión (°C): 137.0-141.0°C
• Peso molecular: 145.160 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 145.053 Da
• Monoisotopic Mass: 145.053 Da
• Topological Polar Surface Area: 32.900 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 158.000
• 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