4934-0114 Screening compound: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(2,3-dimethyl-1H-indol-1-yl)ethan-1-one

4934-0114 Screening compound: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(2,3-dimethyl-1H-indol-1-yl)ethan-1-one
4934-0114 Screening compound: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(2,3-dimethyl-1H-indol-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4934-0114
2-(1,3-benzothiazol-2-ylsulfanyl)-1-(2,3-dimethyl-1H-indol-1-yl)ethan-1-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

4934-0114

Molecular Formula

C19H16N2OS2 (C19 H16 N2 OS2)

Compound Name

2-(1,3-benzothiazol-2-ylsulfanyl)-1-(2,3-dimethyl-1H-indol-1-yl)ethan-1-one

IUPAC name

2-(13-benzothiazol-2-ylsulfanyl)-1-(23-dimethyl-1H-indol-1-yl)ethan-1-one

SMILES

Cc1c(C)n(C(CSc2nc(cccc3)c3s2)=O)c2c1cccc2

InChI

InChI=1S/C19H16N2OS2/c1-12-13(2)21(16-9-5-3-7-14(12)16)18(22)11-23-19-20-15-8-4-6-10-17(15)24-19/h3-10H,11H2,1-2H3

InChI Key

WWJCFQXNJMCYHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03147038

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.854

Distribution Coefficient, logD

4.854

Water Solubility, LogSw

-4.82

Polar Surface Area

23.932

Acid Dissociation Constant (pKa)

14.97

Base Dissociation Constant (pKb)

0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

4934-0114 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Agro:
  • Agro
Targets:
  • Others

References: we are preparing a list of scientific research reports with 4934-0114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4934-0114?
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What is the minimum amount of 4934-0114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4934-0114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4934-0114
  • 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 4934-0114 available by request