C564-0173 Screening compound: 4-{[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]sulfanyl}-1-ethyl-1,2-dihydroquinolin-2-one

C564-0173 Screening compound: 4-{[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]sulfanyl}-1-ethyl-1,2-dihydroquinolin-2-one
C564-0173 Screening compound: 4-{[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]sulfanyl}-1-ethyl-1,2-dihydroquinolin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C564-0173
4-{[2-(4-cyclohexylpiperazin-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

C564-0173

Molecular Formula

C23H31N3O2S (C23 H31 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCN(c(cccc1)c1C(SCC(N(CC1)CCN1C1CCCCC1)=O)=C1)C1=O

InChI

InChI=1S/C23H31N3O2S/c1-2-26-20-11-7-6-10-19(20)21(16-22(26)27)29-17-23(28)25-14-12-24(13-15-25)18-8-4-3-5-9-18/h6-7,10-11,16,18H,2-5,8-9,12-15,17H2,1H3

InChI Key

ZOILQSINXFCIAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14772277

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.134

Distribution Coefficient, logD

3.025

Water Solubility, LogSw

-3.55

Polar Surface Area

34.829

Acid Dissociation Constant (pKa)

27.55

Base Dissociation Constant (pKb)

6.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.50

C564-0173 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

GPCR Targeted Library (31838 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C564-0173 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C564-0173?
Check Price and Availability of C564-0173, 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 C564-0173 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C564-0173
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C564-0173
  • 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 C564-0173 available by request