7472-0012 Screening compound: 1-(4-phenylpiperazin-1-yl)-2-{[3-(pyrrolidin-1-yl)quinoxalin-2-yl]sulfanyl}ethan-1-one

7472-0012 Screening compound: 1-(4-phenylpiperazin-1-yl)-2-{[3-(pyrrolidin-1-yl)quinoxalin-2-yl]sulfanyl}ethan-1-one
7472-0012 Screening compound: 1-(4-phenylpiperazin-1-yl)-2-{[3-(pyrrolidin-1-yl)quinoxalin-2-yl]sulfanyl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 7472-0012
1-(4-phenylpiperazin-1-yl)-2-{[3-(pyrrolidin-1-yl)quinoxalin-2-yl]sulfanyl}ethan-1-one

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

7472-0012

Molecular Formula

C24H27N5OS (C24 H27 N5 OS)

Compound Name

1-(4-phenylpiperazin-1-yl)-2-{[3-(pyrrolidin-1-yl)quinoxalin-2-yl]sulfanyl}ethan-1-one

IUPAC name

1-(4-phenylpiperazin-1-yl)-2-{[3-(pyrrolidin-1-yl)quinoxalin-2-yl]sulfanyl}ethan-1-one

SMILES

O=C(CSc1nc2ccccc2nc1N1CCCC1)N(CC1)CCN1c1ccccc1

InChI

InChI=1S/C24H27N5OS/c30-22(28-16-14-27(15-17-28)19-8-2-1-3-9-19)18-31-24-23(29-12-6-7-13-29)25-20-10-4-5-11-21(20)26-24/h1-5,8-11H,6-7,12-18H2

InChI Key

LKMATEZBVXWKDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14712564

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.573

Distribution Coefficient, logD

4.573

Water Solubility, LogSw

-4.42

Polar Surface Area

40.436

Acid Dissociation Constant (pKa)

21.57

Base Dissociation Constant (pKb)

5.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

7472-0012 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 7472-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7472-0012?
Check Price and Availability of 7472-0012, 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 7472-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7472-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7472-0012
  • 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 7472-0012 available by request