7472-0201 Screening compound: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-{[3-(piperidin-1-yl)quinoxalin-2-yl]sulfanyl}ethan-1-one

7472-0201 Screening compound: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-{[3-(piperidin-1-yl)quinoxalin-2-yl]sulfanyl}ethan-1-one
7472-0201 Screening compound: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-{[3-(piperidin-1-yl)quinoxalin-2-yl]sulfanyl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 7472-0201
1-[4-(3-chlorophenyl)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

7472-0201

Molecular Formula

C25H28ClN5OS (C25 H28 ClN5 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C(CSc1nc2ccccc2nc1N1CCCCC1)N(CC1)CCN1c1cccc(Cl)c1

InChI

InChI=1S/C25H28ClN5OS/c26-19-7-6-8-20(17-19)29-13-15-30(16-14-29)23(32)18-33-25-24(31-11-4-1-5-12-31)27-21-9-2-3-10-22(21)28-25/h2-3,6-10,17H,1,4-5,11-16,18H2

InChI Key

MRMSZIBQFJCTFD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14712702

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.05

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

5.573

Distribution Coefficient, logD

5.573

Water Solubility, LogSw

-5.86

Polar Surface Area

40.070

Acid Dissociation Constant (pKa)

21.57

Base Dissociation Constant (pKb)

1.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

7472-0201 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 7472-0201 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7472-0201?
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What is the minimum amount of 7472-0201 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7472-0201
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7472-0201
  • 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 7472-0201 available by request