C564-0222 Screening compound: N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-[(1-ethyl-2-oxo-1,2-dihydroquinolin-4-yl)sulfanyl]acetamide

C564-0222 Screening compound: N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-[(1-ethyl-2-oxo-1,2-dihydroquinolin-4-yl)sulfanyl]acetamide
C564-0222 Screening compound: N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-[(1-ethyl-2-oxo-1,2-dihydroquinolin-4-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C564-0222
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-[(1-ethyl-2-oxo-1,2-dihydroquinolin-4-yl)sulfanyl]acetamide

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

C564-0222

Molecular Formula

C26H32N4O2S (C26 H32 N4 O2 S)

Compound Name

N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-[(1-ethyl-2-oxo-1,2-dihydroquinolin-4-yl)sulfanyl]acetamide

IUPAC name

N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-[(1-ethyl-2-oxo-12-dihydroquinolin-4-yl)sulfanyl]acetamide

SMILES

CCN(c(cccc1)c1C(SCC(NCCN1CCN(Cc2ccccc2)CC1)=O)=C1)C1=O

InChI

InChI=1S/C26H32N4O2S/c1-2-30-23-11-7-6-10-22(23)24(18-26(30)32)33-20-25(31)27-12-13-28-14-16-29(17-15-28)19-21-8-4-3-5-9-21/h3-11,18H,2,12-17,19-20H2,1H3,(H,27,31)

InChI Key

UDBUUEGZBYZUHX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14772306

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.220

Distribution Coefficient, logD

2.082

Water Solubility, LogSw

-2.97

Polar Surface Area

47.180

Acid Dissociation Constant (pKa)

14.19

Base Dissociation Constant (pKb)

6.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

C564-0222 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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 C564-0222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C564-0222?
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What is the minimum amount of C564-0222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C564-0222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C564-0222
  • 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 C564-0222 available by request