Unii-IC9O2HT1X1 - ≥98% , Tubulin disrupting agent, CAS No.261944-52-9, Tubulin disrupting agent

CAS: 261944-52-9 Cat. No.: U671039 Molecular Weight: 411.31 PubChem CID: 9812416

GRADE & PURITY ≥98%

Synonyms

T900607 | T 900607 [WHO-DD] | N-(4-Methoxy-3-ureidophenyl)-2,3,4,5,6-pentafluorobenzenesulfonamide | BENZENESULFONAMIDE, N-(3-((AMINOCARBONYL)AMINO)-4-METHOXYPHENYL)-2,3,4,5,6-PENTAFLUORO- | T 900607 | Z1899292460 | CHEMBL4297440 | T-900607 | Q27280659 |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

T900607 | T 900607 [WHO-DD] | N-(4-Methoxy-3-ureidophenyl)-2, 3, 4, 5, 6-pentafluorobenzenesulfonamide | BENZENESULFONAMIDE, N-(3-((AMINOCARBONYL)AMINO)-4-METHOXYPHENYL)-2, 3, 4, 5, 6-PENTAFLUORO- | T 900607 | Z1899292460 | CHEMBL4297440 | T-900607 | Q27280659 |

Specifications & Purity

≥98%

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

DISRUPTING AGENT

Mechanism of action

Tubulin disrupting agent

Purity

≥98%

Product Properties

• ALogP: 1.5

Names and Identifiers

• Canonical Smiles: COC1=C(C=C(C=C1)NS(=O)(=O)C2=C(C(=C(C(=C2F)F)F)F)F)NC(=O)N
• IUPAC Name: [2-methoxy-5-[(2,3,4,5,6-pentafluorophenyl)sulfonylamino]phenyl]urea
• InChIKey: FSXLOWIFSZNIMV-UHFFFAOYSA-N
• INCHI: 1S/C14H10F5N3O4S/c1-26-7-3-2-5(4-6(7)21-14(20)23)22-27(24,25)13-11(18)9(16)8(15)10(17)12(13)19/h2-4,22H,1H3,(H3,20,21,23)
• Isomeric SMILES: COC1=C(C=C(C=C1)NS(=O)(=O)C2=C(C(=C(C(=C2F)F)F)F)F)NC(=O)N
• PubChem CID: 9812416
• Molecular Weight: 411.31

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Sulfanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Sulfanilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfanilides
• Alternative Parents: Benzenesulfonamides N-phenylureas Benzenesulfonyl compounds Methoxyanilines Phenoxy compounds Methoxybenzenes Anisoles Fluorobenzenes Alkyl aryl ethers Aryl fluorides Organosulfonamides Aminosulfonyl compounds Ureas Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonamide - N-phenylurea - Sulfanilide - Methoxyaniline - Benzenesulfonyl group - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Fluorobenzene - Halobenzene - Alkyl aryl ether - Organosulfonic acid amide - Aryl fluoride - Aryl halide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Urea - Carbonic acid derivative - Ether - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as sulfanilides. These are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1.
• 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: 411.310 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 5
• Exact Mass: 411.031 Da
• Monoisotopic Mass: 411.031 Da
• Topological Polar Surface Area: 119.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 621.000
• 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