E734-0012 Screening compound: N-[4-chloro-3-(trifluoromethyl)phenyl]-7-methyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamide

E734-0012 Screening compound: N-[4-chloro-3-(trifluoromethyl)phenyl]-7-methyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamide
E734-0012 Screening compound: N-[4-chloro-3-(trifluoromethyl)phenyl]-7-methyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E734-0012
N-[4-chloro-3-(trifluoromethyl)phenyl]-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

E734-0012

Molecular Formula

C16H11ClF3N3O4S (C16 H11 ClF3 N3 O4 S)

Compound Name

N-[4-chloro-3-(trifluoromethyl)phenyl]-7-methyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamide

IUPAC name

N-[4-chloro-3-(trifluoromethyl)phenyl]-7-methyl-23-dioxo-1234-tetrahydroquinoxaline-6-sulfonamide

SMILES

Cc(cc(c(NC1=O)c2)NC1=O)c2S(Nc(cc1)cc(C(F)(F)F)c1Cl)(=O)=O

InChI

InChI=1S/C16H11ClF3N3O4S/c1-7-4-11-12(22-15(25)14(24)21-11)6-13(7)28(26,27)23-8-2-3-10(17)9(5-8)16(18,19)20/h2-6,23H,1H3,(H,21,24)(H,22,25)

InChI Key

BXIKFUZCLHVBTJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14913392

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.8

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.120

Distribution Coefficient, logD

0.320

Water Solubility, LogSw

-3.74

Polar Surface Area

90.723

Acid Dissociation Constant (pKa)

4.60

Base Dissociation Constant (pKb)

-2.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

E734-0012 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

DGK Inhibitors Library (10558 compounds)

Nucleic Acid Ligands (8311 compounds)

Purinergic Library (3321 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • Kinases
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E734-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E734-0012?
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What is the minimum amount of E734-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E734-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E734-0012
  • 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 E734-0012 available by request