WAY-607987 - ≥97% , CAS No.522625-85-0

CAS: 522625-85-0 Cat. No.: W417640 Formula: C₁₉H₁₈N₂O₅S Molecular Weight: 386.42 PubChem CID: 4156245

GRADE & PURITY ≥97%

Synonyms

N-(3-(N-(Furan-2-ylmethyl)sulfamoyl)phenyl)-4-methoxybenzamide | N-(3-{[(furan-2-yl)methyl]sulfamoyl}phenyl)-4-methoxybenzamide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

anti-viral

Specifications

Synonyms

N-(3-(N-(Furan-2-ylmethyl)sulfamoyl)phenyl)-4-methoxybenzamide | N-(3-{[(furan-2-yl)methyl]sulfamoyl}phenyl)-4-methoxybenzamide

Specifications & Purity

≥97%

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.

Purity

≥97%

Product Properties

ALogP

2.274

HBD Count

2

Rotatable Bond

7

Names and Identifiers

Pubchem Sid

504762876

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504762876

Canonical Smiles

COC1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CO3

IUPAC Name

N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-methoxybenzamide

InChIKey

HBZICUMXNDTDSI-UHFFFAOYSA-N

INCHI

1S/C19H18N2O5S/c1-25-16-9-7-14(8-10-16)19(22)21-15-4-2-6-18(12-15)27(23,24)20-13-17-5-3-11-26-17/h2-12,20H,13H2,1H3,(H,21,22)

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CO3

PubChem CID

4156245

Molecular Weight

386.42

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Anilides
        • Level5 Aromatic anilides
          • Level6 Benzanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Aromatic anilides
• Direct Parent: Benzanilides
• Alternative Parents: Benzenesulfonamides Benzamides Benzenesulfonyl compounds Phenoxy compounds Anisoles Methoxybenzenes Benzoyl derivatives Alkyl aryl ethers Organosulfonamides Aminosulfonyl compounds Heteroaromatic compounds Furans Secondary carboxylic acid amides Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzanilide - Benzenesulfonamide - Benzoic acid or derivatives - Benzenesulfonyl group - Benzamide - Phenol ether - Methoxybenzene - Benzoyl - Phenoxy compound - Anisole - Alkyl aryl ether - Organosulfonic acid amide - Aminosulfonyl compound - Sulfonyl - Furan - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organosulfur compound - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
• 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

Associated Targets(Human)

KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)

Discover Target: KDM4A

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

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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

Associated Targets(non-human)

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

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

Mechanisms of Action

Chemical and Physical Properties

• DMSO(mM) Max Solubility: 10
• Molecular Weight: 386.400 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 386.094 Da
• Monoisotopic Mass: 386.094 Da
• Topological Polar Surface Area: 106.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 583.000
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥97% 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 522625-85-0, the molecular formula is C19H18N2O5S, and the molecular weight is 386.42 g/mol. InChIKey HBZICUMXNDTDSI-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.