7472-0082 Screening compound: 2-{[3-(piperidin-1-yl)quinoxalin-2-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide

7472-0082 Screening compound: 2-{[3-(piperidin-1-yl)quinoxalin-2-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide
7472-0082 Screening compound: 2-{[3-(piperidin-1-yl)quinoxalin-2-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7472-0082
2-{[3-(piperidin-1-yl)quinoxalin-2-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)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

7472-0082

Molecular Formula

C24H28N4OS (C24 H28 N4 OS)

Compound Name

2-{[3-(piperidin-1-yl)quinoxalin-2-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide

IUPAC name

2-{[3-(piperidin-1-yl)quinoxalin-2-yl]sulfanyl}-N-(246-trimethylphenyl)acetamide

SMILES

Cc(cc1C)cc(C)c1NC(CSc1nc2ccccc2nc1N1CCCCC1)=O

InChI

InChI=1S/C24H28N4OS/c1-16-13-17(2)22(18(3)14-16)27-21(29)15-30-24-23(28-11-7-4-8-12-28)25-19-9-5-6-10-20(19)26-24/h5-6,9-10,13-14H,4,7-8,11-12,15H2,1-3H3,(H,27,29)

InChI Key

XULYVDQLKGGOJO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14712617

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.58

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

5.605

Distribution Coefficient, logD

5.605

Water Solubility, LogSw

-5.24

Polar Surface Area

42.171

Acid Dissociation Constant (pKa)

12.12

Base Dissociation Constant (pKb)

1.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

7472-0082 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Human Proteases Annotated Library (2868 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 7472-0082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7472-0082?
Check Price and Availability of 7472-0082, 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 7472-0082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7472-0082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7472-0082
  • 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 7472-0082 available by request