Lisavanbulin - ≥99% , CAS No.1263384-43-5

CAS: 1263384-43-5 Cat. No.: L986787 Formula: C₂₆H₂₉N₉O₃ Molecular Weight: 515.600

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Specifications & Purity

≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Purity

≥99%

Names and Identifiers

• Canonical Smiles: C1=CC=C2C(=C1)N=C(N2CC(=O)C3=CC=C(C=C3)NC(=O)[C@H](CCCCN)N)C4=NON=C4NCCC#N
• IUPAC Name: (2S)-2,6-diamino-N-[4-[2-[2-[4-(2-cyanoethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetyl]phenyl]hexanamide
• InChIKey: NIPZLALJRAHABJ-IBGZPJMESA-N
• INCHI: 1S/C26H29N9O3/c27-13-4-3-6-19(29)26(37)31-18-11-9-17(10-12-18)22(36)16-35-21-8-2-1-7-20(21)32-25(35)23-24(34-38-33-23)30-15-5-14-28/h1-2,7-12,19H,3-6,13,15-16,27,29H2,(H,30,34)(H,31,37)/t19-/m0/s1
• Molecular Weight: 515.600

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Alpha amino acid amides Anilides Benzimidazoles Aryl alkyl ketones Benzoyl derivatives N-arylamides Secondary alkylarylamines N-substituted imidazoles Fatty amides Imidolactams Heteroaromatic compounds Furazans Secondary carboxylic acid amides Oxacyclic compounds Nitriles Azacyclic compounds Hydrocarbon derivatives Organic oxides Monoalkylamines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alkyl-phenylketone - Alpha-amino acid amide - Alpha-amino acid or derivatives - Benzimidazole - Anilide - N-arylamide - Aryl alkyl ketone - Benzoyl - Secondary aliphatic/aromatic amine - N-substituted imidazole - Monocyclic benzene moiety - Benzenoid - Imidolactam - Fatty amide - Fatty acyl - Azole - Heteroaromatic compound - Imidazole - Furazan - Oxadiazole - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Secondary amine - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Oxacycle - Carbonitrile - Nitrile - Primary amine - Primary aliphatic amine - Amine - Cyanide - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and 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

Chemical and Physical Properties

• Molecular Weight: 515.600 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 13
• Exact Mass: 515.239 Da
• Monoisotopic Mass: 515.239 Da
• Topological Polar Surface Area: 191.000 Ų
• Heavy Atom Count: 38
• Formal Charge: 0
• Complexity: 828.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 1263384-43-5, the molecular formula is C26H29N9O3, and the molecular weight is 515.600 g/mol. InChIKey NIPZLALJRAHABJ-IBGZPJMESA-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.