5681-0024 Screening compound: 9-(4-methylbenzenesulfonyl)-9H-thioxanthene

5681-0024 Screening compound: 9-(4-methylbenzenesulfonyl)-9H-thioxanthene
5681-0024 Screening compound: 9-(4-methylbenzenesulfonyl)-9H-thioxanthene alternative view

Chemical Structure Depiction of ChemDiv screening compound 5681-0024
9-(4-methylbenzenesulfonyl)-9H-thioxanthene

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

5681-0024

Molecular Formula

C20H16O2S2 (C20 H16 O2 S2)

Compound Name

9-(4-methylbenzenesulfonyl)-9H-thioxanthene

IUPAC name

9-(4-methylbenzenesulfonyl)-9H-thioxanthene

SMILES

Cc(cc1)ccc1S(C1c(cccc2)c2Sc2c1cccc2)(=O)=O

InChI

InChI=1S/C20H16O2S2/c1-14-10-12-15(13-11-14)24(21,22)20-16-6-2-4-8-18(16)23-19-9-5-3-7-17(19)20/h2-13,20H,1H3

InChI Key

NTBRTRDAWAKDGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02250425

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.049

Distribution Coefficient, logD

-0.507

Water Solubility, LogSw

-4.76

Polar Surface Area

29.388

Acid Dissociation Constant (pKa)

1.84

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

5681-0024 in Drug Discovery

Included in Screening Libraries

Human Ion Channels Annotated Library (353 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5681-0024 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5681-0024?
Check Price and Availability of 5681-0024, 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 5681-0024 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5681-0024
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5681-0024
  • 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 5681-0024 available by request