8014-2836 Screening compound: 7,7-dimethyl-1-phenyl-4-(3-thienyl)-4,6,7,8-tetrahydro-2,5(1H,3H)-quinolinedione

8014-2836 Screening compound: 7,7-dimethyl-1-phenyl-4-(3-thienyl)-4,6,7,8-tetrahydro-2,5(1H,3H)-quinolinedione
8014-2836 Screening compound: 7,7-dimethyl-1-phenyl-4-(3-thienyl)-4,6,7,8-tetrahydro-2,5(1H,3H)-quinolinedione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-2836
7,7-dimethyl-1-phenyl-4-(3-thienyl)-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

8014-2836

Molecular Formula

C21H21NO2S (C21 H21 NO2 S)

Compound Name

7,7-dimethyl-1-phenyl-4-(3-thienyl)-4,6,7,8-tetrahydro-2,5(1H,3H)-quinolinedione

IUPAC name

77-dimethyl-1-phenyl-4-(thiophen-3-yl)-12345678-octahydroquinoline-25-dione

SMILES

CC(C)(C1)CC(N(C(CC2c3cscc3)=O)c3ccccc3)=C2C1=O

InChI

InChI=1S/C21H21NO2S/c1-21(2)11-17-20(18(23)12-21)16(14-8-9-25-13-14)10-19(24)22(17)15-6-4-3-5-7-15/h3-9,13,16H,10-12H2,1-2H3

InChI Key

RBZUYPGOVLZESC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03768717

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.355

Distribution Coefficient, logD

3.355

Water Solubility, LogSw

-3.57

Polar Surface Area

29.604

Acid Dissociation Constant (pKa)

18.10

Base Dissociation Constant (pKb)

0.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

8014-2836 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 8014-2836 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-2836?
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What is the minimum amount of 8014-2836 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-2836
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-2836
  • 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 8014-2836 available by request