C547-0295 Screening compound: N-butyl-2-[(6-chloro-1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)sulfanyl]acetamide

C547-0295 Screening compound: N-butyl-2-[(6-chloro-1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)sulfanyl]acetamide
C547-0295 Screening compound: N-butyl-2-[(6-chloro-1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C547-0295
N-butyl-2-[(6-chloro-1-methyl-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

C547-0295

Molecular Formula

C16H19ClN2O2S (C16 H19 ClN2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCCCNC(CSC(c(cc(cc1)Cl)c1N1C)=CC1=O)=O

InChI

InChI=1S/C16H19ClN2O2S/c1-3-4-7-18-15(20)10-22-14-9-16(21)19(2)13-6-5-11(17)8-12(13)14/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,18,20)

InChI Key

LZDAKPMLHLZESS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14768936

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.86

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

2.875

Distribution Coefficient, logD

2.875

Water Solubility, LogSw

-3.61

Polar Surface Area

39.969

Acid Dissociation Constant (pKa)

15.25

Base Dissociation Constant (pKb)

-0.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

C547-0295 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C547-0295 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C547-0295?
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What is the minimum amount of C547-0295 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C547-0295
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C547-0295
  • 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 C547-0295 available by request