C698-0431 Screening compound: N-(2,5-dimethoxyphenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-7-sulfonamide

C698-0431 Screening compound: N-(2,5-dimethoxyphenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-7-sulfonamide
C698-0431 Screening compound: N-(2,5-dimethoxyphenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-7-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C698-0431
N-(2,5-dimethoxyphenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-7-sulfonamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C698-0431

Molecular Formula

C17H17N3O6S (C17 H17 N3 O6 S)

Compound Name

N-(2,5-dimethoxyphenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-7-sulfonamide

IUPAC name

N-(25-dimethoxyphenyl)-24-dioxo-2345-tetrahydro-1H-15-benzodiazepine-7-sulfonamide

SMILES

COc(cc1)cc(NS(c(cc2)cc(NC(C3)=O)c2NC3=O)(=O)=O)c1OC

InChI

InChI=1S/C17H17N3O6S/c1-25-10-3-6-15(26-2)14(7-10)20-27(23,24)11-4-5-12-13(8-11)19-17(22)9-16(21)18-12/h3-8,20H,9H2,1-2H3,(H,18,21)(H,19,22)

InChI Key

KHLUYJMCZBYTIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14784126

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.4

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.490

Distribution Coefficient, logD

0.001

Water Solubility, LogSw

-2.24

Polar Surface Area

105.416

Acid Dissociation Constant (pKa)

7.08

Base Dissociation Constant (pKb)

-2.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.65

C698-0431 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Nucleic Acid Ligands (8311 compounds)

Protein-Protein Interaction Library (218420 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Epigenetics Focused Set (26518 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C698-0431 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C698-0431?
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What is the minimum amount of C698-0431 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C698-0431
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C698-0431
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C698-0431 available by request