C066-3203 Screening compound: 2-[(1-ethyl-2-oxo-1,2-dihydroquinolin-4-yl)sulfanyl]-N-[4-(piperidine-1-sulfonyl)phenyl]acetamide

C066-3203 Screening compound: 2-[(1-ethyl-2-oxo-1,2-dihydroquinolin-4-yl)sulfanyl]-N-[4-(piperidine-1-sulfonyl)phenyl]acetamide
C066-3203 Screening compound: 2-[(1-ethyl-2-oxo-1,2-dihydroquinolin-4-yl)sulfanyl]-N-[4-(piperidine-1-sulfonyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-3203
2-[(1-ethyl-2-oxo-1,2-dihydroquinolin-4-yl)sulfanyl]-N-[4-(piperidine-1-sulfonyl)phenyl]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

C066-3203

Molecular Formula

C24H27N3O4S2 (C24 H27 N3 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

CCN(c(cccc1)c1C(SCC(Nc(cc1)ccc1S(N1CCCCC1)(=O)=O)=O)=C1)C1=O

InChI

InChI=1S/C24H27N3O4S2/c1-2-27-21-9-5-4-8-20(21)22(16-24(27)29)32-17-23(28)25-18-10-12-19(13-11-18)33(30,31)26-14-6-3-7-15-26/h4-5,8-13,16H,2-3,6-7,14-15,17H2,1H3,(H,25,28)

InChI Key

IPTQSTFBMLBJLS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14715558

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.63

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.311

Distribution Coefficient, logD

3.311

Water Solubility, LogSw

-3.98

Polar Surface Area

70.204

Acid Dissociation Constant (pKa)

10.48

Base Dissociation Constant (pKb)

-2.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C066-3203 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C066-3203 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-3203?
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What is the minimum amount of C066-3203 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-3203
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-3203
  • 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 C066-3203 available by request