SRTCX1003 - Moligand™ , CAS No.S613712

CAS: S613712 Cat. No.: S613712 PubChem CID: 75124302

GRADE & PURITY Moligand™

Storage

Room temperature

Specifications

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Names and Identifiers

• Canonical Smiles: O=C(c1cccc2c1nc([nH]2)c1ccccc1OCCN1CCOCC1)Nc1nccs1
• IUPAC Name: 2-{2-[2-(morpholin-4-yl)ethoxy]phenyl}-N-(1,3-thiazol-2-yl)-1H-1,3-benzodiazole-4-carboxamide
• InChIKey: BXSJTHFUADFIKS-UHFFFAOYSA-N
• INCHI: 1S/C23H23N5O3S/c29-22(27-23-24-8-15-32-23)17-5-3-6-18-20(17)26-21(25-18)16-4-1-2-7-19(16)31-14-11-28-9-12-30-13-10-28/h1-8,15H,9-14H2,(H,25,26)(H,24,27,29)
• Isomeric SMILES: C1COCCN1CCOC2=CC=CC=C2C3=NC4=C(C=CC=C4N3)C(=O)NC5=NC=CS5
• PubChem CID: 75124302

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzimidazoles
      • Subclass Phenylbenzimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzimidazoles
• Subclass: Phenylbenzimidazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylbenzimidazoles
• Alternative Parents: Phenylimidazoles Phenoxy compounds Phenol ethers Alkyl aryl ethers Morpholines Thiazoles Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylbenzimidazole - 2-phenylimidazole - Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Morpholine - Oxazinane - Benzenoid - Thiazole - Heteroaromatic compound - Azole - Imidazole - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Oxacycle - Azacycle - Carboxylic acid derivative - Ether - Dialkyl ether - Hydrocarbon derivative - Amine - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylbenzimidazoles. These are compounds containing a phenylbenzimidazole skeleton, which consists of a benzimidazole moiety where its imidazole ring is attached to 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

Frequently Asked Questions

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 S613712. InChIKey BXSJTHFUADFIKS-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.