E734-0074 Screening compound: N-(4-bromo-2-fluorophenyl)-7-methyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamide

E734-0074 Screening compound: N-(4-bromo-2-fluorophenyl)-7-methyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamide
E734-0074 Screening compound: N-(4-bromo-2-fluorophenyl)-7-methyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E734-0074
N-(4-bromo-2-fluorophenyl)-7-methyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-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

E734-0074

Molecular Formula

C15H11BrFN3O4S (C15 H11 BrFN3 O4 S)

Compound Name

N-(4-bromo-2-fluorophenyl)-7-methyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamide

IUPAC name

N-(4-bromo-2-fluorophenyl)-7-methyl-23-dioxo-1234-tetrahydroquinoxaline-6-sulfonamide

SMILES

Cc(cc(c(NC1=O)c2)NC1=O)c2S(Nc(ccc(Br)c1)c1F)(=O)=O

InChI

InChI=1S/C15H11BrFN3O4S/c1-7-4-11-12(19-15(22)14(21)18-11)6-13(7)25(23,24)20-10-3-2-8(16)5-9(10)17/h2-6,20H,1H3,(H,18,21)(H,19,22)

InChI Key

MWXCGXSQDDHRNY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14913430

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.24

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.384

Distribution Coefficient, logD

0.103

Water Solubility, LogSw

-2.94

Polar Surface Area

90.025

Acid Dissociation Constant (pKa)

5.12

Base Dissociation Constant (pKb)

-2.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

E734-0074 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Purinergic Library (3321 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E734-0074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E734-0074?
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What is the minimum amount of E734-0074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E734-0074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E734-0074
  • 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 E734-0074 available by request