5742-0781 Screening compound: 2-[(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)sulfanyl]-N-(3,5-dimethylphenyl)acetamide

5742-0781 Screening compound: 2-[(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)sulfanyl]-N-(3,5-dimethylphenyl)acetamide
5742-0781 Screening compound: 2-[(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)sulfanyl]-N-(3,5-dimethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5742-0781
2-[(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)sulfanyl]-N-(3,5-dimethylphenyl)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

5742-0781

Molecular Formula

C25H21ClN2O2S (C25 H21 ClN2 O2 S)

Compound Name

2-[(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)sulfanyl]-N-(3,5-dimethylphenyl)acetamide

IUPAC name

2-[(6-chloro-2-oxo-4-phenyl-12-dihydroquinolin-3-yl)sulfanyl]-N-(35-dimethylphenyl)acetamide

SMILES

Cc1cc(NC(CSC2=C(c3ccccc3)c(cc(cc3)Cl)c3NC2=O)=O)cc(C)c1

InChI

InChI=1S/C25H21ClN2O2S/c1-15-10-16(2)12-19(11-15)27-22(29)14-31-24-23(17-6-4-3-5-7-17)20-13-18(26)8-9-21(20)28-25(24)30/h3-13H,14H2,1-2H3,(H,27,29)(H,28,30)

InChI Key

NZRKRSRNVCTXII-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03612707

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.97

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.898

Distribution Coefficient, logD

5.898

Water Solubility, LogSw

-5.95

Polar Surface Area

47.722

Acid Dissociation Constant (pKa)

10.42

Base Dissociation Constant (pKb)

0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

References: we are preparing a list of scientific research reports with 5742-0781 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5742-0781?
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What is the minimum amount of 5742-0781 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5742-0781
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5742-0781
  • 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 5742-0781 available by request