7472-0047 Screening compound: 2-{[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide

7472-0047 Screening compound: 2-{[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide
7472-0047 Screening compound: 2-{[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7472-0047
2-{[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide

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

7472-0047

Molecular Formula

C24H28N4O3S (C24 H28 N4 O3 S)

Compound Name

2-{[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide

IUPAC name

2-{[3-(26-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide

SMILES

CCOc(cc1)ccc1NC(CSc1nc2ccccc2nc1N1CC(C)OC(C)C1)=O

InChI

InChI=1S/C24H28N4O3S/c1-4-30-19-11-9-18(10-12-19)25-22(29)15-32-24-23(28-13-16(2)31-17(3)14-28)26-20-7-5-6-8-21(20)27-24/h5-12,16-17H,4,13-15H2,1-3H3,(H,25,29)

InChI Key

AJZFMGQYVOSHPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14712590

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.583

Distribution Coefficient, logD

4.583

Water Solubility, LogSw

-4.21

Polar Surface Area

57.622

Acid Dissociation Constant (pKa)

12.39

Base Dissociation Constant (pKb)

3.58

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.50

7472-0047 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with 7472-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7472-0047?
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What is the minimum amount of 7472-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7472-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7472-0047
  • 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 7472-0047 available by request