C564-0095 Screening compound: N,N-diethyl-2-[(1-ethyl-2-oxo-1,2-dihydroquinolin-4-yl)sulfanyl]acetamide

C564-0095 Screening compound: N,N-diethyl-2-[(1-ethyl-2-oxo-1,2-dihydroquinolin-4-yl)sulfanyl]acetamide
C564-0095 Screening compound: N,N-diethyl-2-[(1-ethyl-2-oxo-1,2-dihydroquinolin-4-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C564-0095
N,N-diethyl-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

C564-0095

Molecular Formula

C17H22N2O2S (C17 H22 N2 O2 S)

Compound Name

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

IUPAC name

NN-diethyl-2-[(1-ethyl-2-oxo-12-dihydroquinolin-4-yl)sulfanyl]acetamide

SMILES

CCN(CC)C(CSC(c(cccc1)c1N1CC)=CC1=O)=O

InChI

InChI=1S/C17H22N2O2S/c1-4-18(5-2)17(21)12-22-15-11-16(20)19(6-3)14-10-8-7-9-13(14)15/h7-11H,4-6,12H2,1-3H3

InChI Key

OFDSWSOELIVKJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14772247

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.357

Distribution Coefficient, logD

2.357

Water Solubility, LogSw

-2.79

Polar Surface Area

31.020

Acid Dissociation Constant (pKa)

27.55

Base Dissociation Constant (pKb)

4.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

C564-0095 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Soluble Diversity Library (15920 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C564-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C564-0095?
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What is the minimum amount of C564-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C564-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C564-0095
  • 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 C564-0095 available by request