5742-0882 Screening compound: 2-[(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)sulfanyl]ethyl 2-methylpropanoate

5742-0882 Screening compound: 2-[(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)sulfanyl]ethyl 2-methylpropanoate
5742-0882 Screening compound: 2-[(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)sulfanyl]ethyl 2-methylpropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5742-0882
2-[(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)sulfanyl]ethyl 2-methylpropanoate

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

5742-0882

Molecular Formula

C21H20ClNO3S (C21 H20 ClNO3 S)

Compound Name

2-[(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)sulfanyl]ethyl 2-methylpropanoate

IUPAC name

2-[(6-chloro-2-oxo-4-phenyl-12-dihydroquinolin-3-yl)sulfanyl]ethyl 2-methylpropanoate

SMILES

CC(C)C(OCCSC1=C(c2ccccc2)c(cc(cc2)Cl)c2NC1=O)=O

InChI

InChI=1S/C21H20ClNO3S/c1-13(2)21(25)26-10-11-27-19-18(14-6-4-3-5-7-14)16-12-15(22)8-9-17(16)23-20(19)24/h3-9,12-13H,10-11H2,1-2H3,(H,23,24)

InChI Key

PPXXIGGPNCQEPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03612802

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.91

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.855

Distribution Coefficient, logD

4.854

Water Solubility, LogSw

-4.85

Polar Surface Area

45.892

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

-5.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

5742-0882 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 5742-0882 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5742-0882?
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What is the minimum amount of 5742-0882 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5742-0882
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5742-0882
  • 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 5742-0882 available by request