C463-0310 Screening compound: N-BUTYL-2-[(7-CHLORO-1-METHYL-2-OXO-1,2-DIHYDRO-4-QUINOLINYL)SULFANYL]-N-ETHYLACETAMIDE

C463-0310 Screening compound: N-BUTYL-2-[(7-CHLORO-1-METHYL-2-OXO-1,2-DIHYDRO-4-QUINOLINYL)SULFANYL]-N-ETHYLACETAMIDE
C463-0310 Screening compound: N-BUTYL-2-[(7-CHLORO-1-METHYL-2-OXO-1,2-DIHYDRO-4-QUINOLINYL)SULFANYL]-N-ETHYLACETAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C463-0310
N-BUTYL-2-[(7-CHLORO-1-METHYL-2-OXO-1,2-DIHYDRO-4-QUINOLINYL)SULFANYL]-N-ETHYLACETAMIDE

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

C463-0310

Molecular Formula

C18H23ClN2O2S (C18 H23 ClN2 O2 S)

Compound Name

N-BUTYL-2-[(7-CHLORO-1-METHYL-2-OXO-1,2-DIHYDRO-4-QUINOLINYL)SULFANYL]-N-ETHYLACETAMIDE

IUPAC name

N-butyl-2-[(7-chloro-1-methyl-2-oxo-12-dihydroquinolin-4-yl)sulfanyl]-N-ethylacetamide

SMILES

CCCCN(CC)C(CSC(c(ccc(Cl)c1)c1N1C)=CC1=O)=O

InChI

InChI=1S/C18H23ClN2O2S/c1-4-6-9-21(5-2)18(23)12-24-16-11-17(22)20(3)15-10-13(19)7-8-14(15)16/h7-8,10-11H,4-6,9,12H2,1-3H3

InChI Key

AQAXCRDPJRBZAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14760078

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.91

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.716

Distribution Coefficient, logD

3.716

Water Solubility, LogSw

-4.11

Polar Surface Area

31.314

Acid Dissociation Constant (pKa)

27.55

Base Dissociation Constant (pKb)

4.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.44

C463-0310 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 C463-0310 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C463-0310?
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What is the minimum amount of C463-0310 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C463-0310
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C463-0310
  • 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 C463-0310 available by request