CK-636 - ≥98%(HPLC) , CAS No.442632-72-6

CAS: 442632-72-6 Cat. No.: C138844 Formule: C₁₆H₁₆N₂OS Poids moléculaire: 284.38 Numéro CE: 663-254-7

GRADE & PURITY ≥98%(HPLC)

Synonyms

N-(2-(2-Methylindol-3-yl)ethyl)-2-thienylcarboxamide | N-[2-(2-Methyl-1H-indol-3-yl)ethyl]-2-thiophenecarboxamide | DB08235 | STL575917 | HY-15892 | 2-Thiophenecarboxamide, N-(2-(2-methyl-1H-indol-3-yl)ethyl)- | MFCD03036245 | SCHEMBL3612821 | Sulfisomidi

Storage

Room temperature

Shipped In

Normal

Vue d’ensemble

CK-636 is an Arp2/3 complex inhibitor with IC50 of 4 μM, 24 μM and 32 μM for inhibition of actin polymerization induced by human, fission yeast and bovine Arp2/3 complex, respectively

Specifications

Synonymes

N-(2-(2-Methylindol-3-yl)ethyl)-2-thienylcarboxamide | N-[2-(2-Methyl-1H-indol-3-yl)ethyl]-2-thiophenecarboxamide | DB08235 | STL575917 | HY-15892 | 2-Thiophenecarboxamide, N-(2-(2-methyl-1H-indol-3-yl)ethyl)- | MFCD03036245 | SCHEMBL3612821 | Sulfisomidi

Spécifications et pureté

≥98%(HPLC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%(HPLC)

Noms et identifiants

Pubchem Sid

504759396

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504759396

Sourires canoniques

CC1=C(C2=CC=CC=C2N1)CCNC(=O)C3=CC=CS3

IUPAC Name

N-[2-(2-methyl-1H-indol-3-yl)ethyl]thiophene-2-carboxamide

InChIKey

ACAKNPKRLPMONU-UHFFFAOYSA-N

INCHI

1S/C16H16N2OS/c1-11-12(13-5-2-3-6-14(13)18-11)8-9-17-16(19)15-7-4-10-20-15/h2-7,10,18H,8-9H2,1H3,(H,17,19)

Isomères SMILES

CC1=C(C2=CC=CC=C2N1)CCNC(=O)C3=CC=CS3

WGK Allemagne

3

Poids moléculaire

284.38

Reaxy-Rn

19720231

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19720231&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: 3-alkylindoles
• Alternative Parents: Thiophene carboxamides 2-heteroaryl carboxamides Substituted pyrroles Benzenoids Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 3-alkylindole - 2-heteroaryl carboxamide - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Substituted pyrrole - Benzenoid - Pyrrole - Thiophene - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 3-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 3-position.
• 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

Cibles associées (non humaines)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 284.400 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 284.098 Da
• Monoisotopic Mass: 284.098 Da
• Topological Polar Surface Area: 73.100 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 349.000
• 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

Foire aux questions

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. 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 442632-72-6, the molecular formula is C16H16N2OS, and the molecular weight is 284.38 g/mol. InChIKey ACAKNPKRLPMONU-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.