C564-0178 Screening compound: 4-({2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-1-ethyl-1,2-dihydroquinolin-2-one

C564-0178 Screening compound: 4-({2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-1-ethyl-1,2-dihydroquinolin-2-one
C564-0178 Screening compound: 4-({2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-1-ethyl-1,2-dihydroquinolin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C564-0178
4-({2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-1-ethyl-1,2-dihydroquinolin-2-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

C564-0178

Molecular Formula

C25H29N3O2S (C25 H29 N3 O2 S)

Compound Name

4-({2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-1-ethyl-1,2-dihydroquinolin-2-one

IUPAC name

4-({2-[4-(25-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-1-ethyl-12-dihydroquinolin-2-one

SMILES

CCN(c(cccc1)c1C(SCC(N(CC1)CCN1c1c(C)ccc(C)c1)=O)=C1)C1=O

InChI

InChI=1S/C25H29N3O2S/c1-4-28-21-8-6-5-7-20(21)23(16-24(28)29)31-17-25(30)27-13-11-26(12-14-27)22-15-18(2)9-10-19(22)3/h5-10,15-16H,4,11-14,17H2,1-3H3

InChI Key

NJHPHTSKVPVDNU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14772279

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.270

Distribution Coefficient, logD

4.270

Water Solubility, LogSw

-4.27

Polar Surface Area

34.695

Acid Dissociation Constant (pKa)

27.55

Base Dissociation Constant (pKb)

3.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

C564-0178 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 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 C564-0178 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C564-0178?
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What is the minimum amount of C564-0178 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C564-0178
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C564-0178
  • 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 C564-0178 available by request