8014-2684 Screening compound: 6-(2,3-dihydro-1H-indole-1-sulfonyl)-2-(methylsulfanyl)-1,3-benzothiazole

8014-2684 Screening compound: 6-(2,3-dihydro-1H-indole-1-sulfonyl)-2-(methylsulfanyl)-1,3-benzothiazole
8014-2684 Screening compound: 6-(2,3-dihydro-1H-indole-1-sulfonyl)-2-(methylsulfanyl)-1,3-benzothiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-2684
6-(2,3-dihydro-1H-indole-1-sulfonyl)-2-(methylsulfanyl)-1,3-benzothiazole

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

8014-2684

Molecular Formula

C16H14N2O2S3 (C16 H14 N2 O2 S3)

Compound Name

6-(2,3-dihydro-1H-indole-1-sulfonyl)-2-(methylsulfanyl)-1,3-benzothiazole

IUPAC name

6-(23-dihydro-1H-indole-1-sulfonyl)-2-(methylsulfanyl)-13-benzothiazole

SMILES

CSc1nc(ccc(S(N(CC2)c3c2cccc3)(=O)=O)c2)c2s1

InChI

InChI=1S/C16H14N2O2S3/c1-21-16-17-13-7-6-12(10-15(13)22-16)23(19,20)18-9-8-11-4-2-3-5-14(11)18/h2-7,10H,8-9H2,1H3

InChI Key

YFELYUVLVKZMQX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03368347

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.236

Distribution Coefficient, logD

4.236

Water Solubility, LogSw

-4.30

Polar Surface Area

40.838

Acid Dissociation Constant (pKa)

26.08

Base Dissociation Constant (pKb)

-1.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.75

8014-2684 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Human Kinases Annotated Library (2415 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with 8014-2684 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-2684?
Check Price and Availability of 8014-2684, 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 8014-2684 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-2684
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-2684
  • 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 8014-2684 available by request