C463-0170 Screening compound: 4-({2-[4-(5-CHLORO-2-METHYLPHENYL)PIPERAZINO]-2-OXOETHYL}SULFANYL)-1-METHYL-2(1H)-QUINOLINONE

C463-0170 Screening compound: 4-({2-[4-(5-CHLORO-2-METHYLPHENYL)PIPERAZINO]-2-OXOETHYL}SULFANYL)-1-METHYL-2(1H)-QUINOLINONE
C463-0170 Screening compound: 4-({2-[4-(5-CHLORO-2-METHYLPHENYL)PIPERAZINO]-2-OXOETHYL}SULFANYL)-1-METHYL-2(1H)-QUINOLINONE alternative view

Chemical Structure Depiction of ChemDiv screening compound C463-0170
4-({2-[4-(5-CHLORO-2-METHYLPHENYL)PIPERAZINO]-2-OXOETHYL}SULFANYL)-1-METHYL-2(1H)-QUINOLINONE

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

C463-0170

Molecular Formula

C23H24ClN3O2S (C23 H24 ClN3 O2 S)

Compound Name

4-({2-[4-(5-CHLORO-2-METHYLPHENYL)PIPERAZINO]-2-OXOETHYL}SULFANYL)-1-METHYL-2(1H)-QUINOLINONE

IUPAC name

n/a

SMILES

Cc(ccc(Cl)c1)c1N(CC1)CCN1C(CSC(c(cccc1)c1N1C)=CC1=O)=O

InChI

InChI=1S/C23H24ClN3O2S/c1-16-7-8-17(24)13-20(16)26-9-11-27(12-10-26)23(29)15-30-21-14-22(28)25(2)19-6-4-3-5-18(19)21/h3-8,13-14H,9-12,15H2,1-2H3

InChI Key

SOPGMAUDVXIZMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14759995

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.98

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.970

Distribution Coefficient, logD

3.970

Water Solubility, LogSw

-4.38

Polar Surface Area

34.736

Acid Dissociation Constant (pKa)

27.55

Base Dissociation Constant (pKb)

2.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.00

C463-0170 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C463-0170 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C463-0170?
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What is the minimum amount of C463-0170 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C463-0170
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C463-0170
  • 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 C463-0170 available by request