7472-0085 Screening compound: N-(2,3-dimethylphenyl)-2-{[3-(piperidin-1-yl)quinoxalin-2-yl]sulfanyl}acetamide

7472-0085 Screening compound: N-(2,3-dimethylphenyl)-2-{[3-(piperidin-1-yl)quinoxalin-2-yl]sulfanyl}acetamide
7472-0085 Screening compound: N-(2,3-dimethylphenyl)-2-{[3-(piperidin-1-yl)quinoxalin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7472-0085
N-(2,3-dimethylphenyl)-2-{[3-(piperidin-1-yl)quinoxalin-2-yl]sulfanyl}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

7472-0085

Molecular Formula

C23H26N4OS (C23 H26 N4 OS)

Compound Name

N-(2,3-dimethylphenyl)-2-{[3-(piperidin-1-yl)quinoxalin-2-yl]sulfanyl}acetamide

IUPAC name

N-(23-dimethylphenyl)-2-{[3-(piperidin-1-yl)quinoxalin-2-yl]sulfanyl}acetamide

SMILES

Cc1cccc(NC(CSc2nc3ccccc3nc2N2CCCCC2)=O)c1C

InChI

InChI=1S/C23H26N4OS/c1-16-9-8-12-18(17(16)2)24-21(28)15-29-23-22(27-13-6-3-7-14-27)25-19-10-4-5-11-20(19)26-23/h4-5,8-12H,3,6-7,13-15H2,1-2H3,(H,24,28)

InChI Key

GSAWUVOPKAXUMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14712619

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.722

Distribution Coefficient, logD

5.722

Water Solubility, LogSw

-5.27

Polar Surface Area

42.868

Acid Dissociation Constant (pKa)

12.66

Base Dissociation Constant (pKb)

1.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

7472-0085 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 7472-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7472-0085?
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What is the minimum amount of 7472-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7472-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7472-0085
  • 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 7472-0085 available by request