7746-0012 Screening compound: 1-(4-methylphenyl)-2-(9H-thioxanthen-9-yl)butane-1,3-dione

7746-0012 Screening compound: 1-(4-methylphenyl)-2-(9H-thioxanthen-9-yl)butane-1,3-dione
7746-0012 Screening compound: 1-(4-methylphenyl)-2-(9H-thioxanthen-9-yl)butane-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 7746-0012
1-(4-methylphenyl)-2-(9H-thioxanthen-9-yl)butane-1,3-dione

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

7746-0012

Molecular Formula

C24H20O2S (C24 H20 O2 S)

Compound Name

1-(4-methylphenyl)-2-(9H-thioxanthen-9-yl)butane-1,3-dione

IUPAC name

1-(4-methylphenyl)-2-(9H-thioxanthen-9-yl)butane-13-dione

SMILES

CC(C(C1c(cccc2)c2Sc2c1cccc2)C(c1ccc(C)cc1)=O)=O

InChI

InChI=1S/C24H20O2S/c1-15-11-13-17(14-12-15)24(26)22(16(2)25)23-18-7-3-5-9-20(18)27-21-10-6-4-8-19(21)23/h3-14,22-23H,1-2H3/t22-/m1/s1

InChI Key

ITQUHOKZWURZLM-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD14712992

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.293

Distribution Coefficient, logD

5.203

Water Solubility, LogSw

-5.41

Polar Surface Area

27.181

Acid Dissociation Constant (pKa)

8.04

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

7746-0012 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 7746-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7746-0012?
Check Price and Availability of 7746-0012, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 7746-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7746-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7746-0012
  • 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 7746-0012 available by request