7472-0051 Screening compound: 2-{[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl}-N-(4-fluorophenyl)acetamide

7472-0051 Screening compound: 2-{[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
7472-0051 Screening compound: 2-{[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl}-N-(4-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7472-0051
2-{[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl}-N-(4-fluorophenyl)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

7472-0051

Molecular Formula

C22H23FN4O2S (C22 H23 FN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C1)OC(C)CN1c1nc2ccccc2nc1SCC(Nc(cc1)ccc1F)=O

InChI

InChI=1S/C22H23FN4O2S/c1-14-11-27(12-15(2)29-14)21-22(26-19-6-4-3-5-18(19)25-21)30-13-20(28)24-17-9-7-16(23)8-10-17/h3-10,14-15H,11-13H2,1-2H3,(H,24,28)

InChI Key

VCCBRBVDEXVDIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14712594

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.243

Distribution Coefficient, logD

4.243

Water Solubility, LogSw

-4.12

Polar Surface Area

50.499

Acid Dissociation Constant (pKa)

10.92

Base Dissociation Constant (pKb)

1.87

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.80

7472-0051 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Selective Target Activity Profiling Library (14702 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

References: we are preparing a list of scientific research reports with 7472-0051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7472-0051?
Check Price and Availability of 7472-0051, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 7472-0051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7472-0051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7472-0051
  • 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 7472-0051 available by request