7839-0019 Screening compound: 1-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)acetone

7839-0019 Screening compound: 1-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)acetone
7839-0019 Screening compound: 1-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)acetone alternative view

Chemical Structure Depiction of ChemDiv screening compound 7839-0019
1-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)acetone

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

7839-0019

Molecular Formula

C11H9N3OS2 (C11 H9 N3 OS2)

Compound Name

1-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)acetone

IUPAC name

1-{7-thia-245-triazatricyclo[6.4.0.0^{26}]dodeca-1(8)35911-pentaen-3-ylsulfanyl}propan-2-one

SMILES

CC(CSc1nnc2sc(cccc3)c3n12)=O

InChI

InChI=1S/C11H9N3OS2/c1-7(15)6-16-10-12-13-11-14(10)8-4-2-3-5-9(8)17-11/h2-5H,6H2,1H3

InChI Key

DJWRLJURCGITDY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02329497

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

263.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.111

Distribution Coefficient, logD

2.111

Water Solubility, LogSw

-2.27

Polar Surface Area

35.913

Acid Dissociation Constant (pKa)

17.05

Base Dissociation Constant (pKb)

2.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

7839-0019 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic
Targets:
  • Others

References: we are preparing a list of scientific research reports with 7839-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7839-0019?
Check Price and Availability of 7839-0019, 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 7839-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7839-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7839-0019
  • 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 7839-0019 available by request