7472-0092 Screening compound: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-{[3-(piperidin-1-yl)quinoxalin-2-yl]sulfanyl}ethan-1-one

7472-0092 Screening compound: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-{[3-(piperidin-1-yl)quinoxalin-2-yl]sulfanyl}ethan-1-one
7472-0092 Screening compound: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-{[3-(piperidin-1-yl)quinoxalin-2-yl]sulfanyl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 7472-0092
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-{[3-(piperidin-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

7472-0092

Molecular Formula

C26H31N5O2S (C26 H31 N5 O2 S)

Compound Name

1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-{[3-(piperidin-1-yl)quinoxalin-2-yl]sulfanyl}ethan-1-one

IUPAC name

1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-{[3-(piperidin-1-yl)quinoxalin-2-yl]sulfanyl}ethan-1-one

SMILES

COc(cccc1)c1N(CC1)CCN1C(CSc1nc2ccccc2nc1N1CCCCC1)=O

InChI

InChI=1S/C26H31N5O2S/c1-33-23-12-6-5-11-22(23)29-15-17-30(18-16-29)24(32)19-34-26-25(31-13-7-2-8-14-31)27-20-9-3-4-10-21(20)28-26/h3-6,9-12H,2,7-8,13-19H2,1H3

InChI Key

MFSNJEWBZQMUIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14712624

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.63

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.990

Distribution Coefficient, logD

4.990

Water Solubility, LogSw

-4.57

Polar Surface Area

47.399

Acid Dissociation Constant (pKa)

21.57

Base Dissociation Constant (pKb)

3.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

7472-0092 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

CNS targets activity set (6557 compounds)

Targeted Diversity Library (40567 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 7472-0092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7472-0092?
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What is the minimum amount of 7472-0092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7472-0092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7472-0092
  • 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 7472-0092 available by request