R091-0013 Screening compound: 1,3-diethyl-9H-thioxanthen-9-one

R091-0013 Screening compound: 1,3-diethyl-9H-thioxanthen-9-one
R091-0013 Screening compound: 1,3-diethyl-9H-thioxanthen-9-one alternative view

Chemical Structure Depiction of ChemDiv screening compound R091-0013
1,3-diethyl-9H-thioxanthen-9-one

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

R091-0013

Molecular Formula

C17H16OS (C17 H16 OS)

Compound Name

1,3-diethyl-9H-thioxanthen-9-one

IUPAC name

13-diethyl-9H-thioxanthen-9-one

SMILES

CCc(cc1CC)cc(Sc2c3cccc2)c1C3=O

InChI

InChI=1S/C17H16OS/c1-3-11-9-12(4-2)16-15(10-11)19-14-8-6-5-7-13(14)17(16)18/h5-10H,3-4H2,1-2H3

InChI Key

AXJZBGQZEBRRKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02089377

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

268.38

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

5.882

Distribution Coefficient, logD

5.882

Water Solubility, LogSw

-5.63

Polar Surface Area

13.034

Acid Dissociation Constant (pKa)

25.02

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

R091-0013 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

DGK Inhibitors Library (10558 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic
  • Epigenetic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with R091-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R091-0013?
Check Price and Availability of R091-0013, 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 R091-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R091-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R091-0013
  • 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 R091-0013 available by request