C547-0401 Screening compound: 2-[(6-chloro-1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)sulfanyl]-N-[2-(4-chlorophenyl)ethyl]acetamide

C547-0401 Screening compound: 2-[(6-chloro-1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)sulfanyl]-N-[2-(4-chlorophenyl)ethyl]acetamide
C547-0401 Screening compound: 2-[(6-chloro-1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)sulfanyl]-N-[2-(4-chlorophenyl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C547-0401
2-[(6-chloro-1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)sulfanyl]-N-[2-(4-chlorophenyl)ethyl]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

C547-0401

Molecular Formula

C20H18Cl2N2O2S (C20 H18 Cl2 N2 O2 S)

Compound Name

2-[(6-chloro-1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)sulfanyl]-N-[2-(4-chlorophenyl)ethyl]acetamide

IUPAC name

2-[(6-chloro-1-methyl-2-oxo-12-dihydroquinolin-4-yl)sulfanyl]-N-[2-(4-chlorophenyl)ethyl]acetamide

SMILES

CN(c(ccc(Cl)c1)c1C(SCC(NCCc(cc1)ccc1Cl)=O)=C1)C1=O

InChI

InChI=1S/C20H18Cl2N2O2S/c1-24-17-7-6-15(22)10-16(17)18(11-20(24)26)27-12-19(25)23-9-8-13-2-4-14(21)5-3-13/h2-7,10-11H,8-9,12H2,1H3,(H,23,25)

InChI Key

PDWKPRKHGSCKLI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14768956

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.591

Distribution Coefficient, logD

3.591

Water Solubility, LogSw

-4.14

Polar Surface Area

39.698

Acid Dissociation Constant (pKa)

14.78

Base Dissociation Constant (pKb)

-1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C547-0401 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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 C547-0401 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C547-0401?
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What is the minimum amount of C547-0401 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C547-0401
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C547-0401
  • 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 C547-0401 available by request