8016-4624 Screening compound: 1-(dimethylamino)-4-[4-(methylsulfanyl)phenyl]-7-phenyl-4,6,7,8-tetrahydro-2,5(1H,3H)-quinolinedione

8016-4624 Screening compound: 1-(dimethylamino)-4-[4-(methylsulfanyl)phenyl]-7-phenyl-4,6,7,8-tetrahydro-2,5(1H,3H)-quinolinedione
8016-4624 Screening compound: 1-(dimethylamino)-4-[4-(methylsulfanyl)phenyl]-7-phenyl-4,6,7,8-tetrahydro-2,5(1H,3H)-quinolinedione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-4624
1-(dimethylamino)-4-[4-(methylsulfanyl)phenyl]-7-phenyl-4,6,7,8-tetrahydro-2,5(1H,3H)-quinolinedione

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

8016-4624

Molecular Formula

C24H26N2O2S (C24 H26 N2 O2 S)

Compound Name

1-(dimethylamino)-4-[4-(methylsulfanyl)phenyl]-7-phenyl-4,6,7,8-tetrahydro-2,5(1H,3H)-quinolinedione

IUPAC name

1-(dimethylamino)-4-[4-(methylsulfanyl)phenyl]-7-phenyl-12345678-octahydroquinoline-25-dione

SMILES

CN(C)N(C(CC(C1)c2ccccc2)=C(C(C2)c(cc3)ccc3SC)C1=O)C2=O

InChI

InChI=1S/C24H26N2O2S/c1-25(2)26-21-13-18(16-7-5-4-6-8-16)14-22(27)24(21)20(15-23(26)28)17-9-11-19(29-3)12-10-17/h4-12,18,20H,13-15H2,1-3H3

InChI Key

BBDUJVKLHWTFJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05856588

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.933

Distribution Coefficient, logD

3.933

Water Solubility, LogSw

-4.04

Polar Surface Area

37.849

Acid Dissociation Constant (pKa)

20.37

Base Dissociation Constant (pKb)

-0.31

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.33

References: we are preparing a list of scientific research reports with 8016-4624 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-4624?
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What is the minimum amount of 8016-4624 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-4624
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-4624
  • 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 8016-4624 available by request