6359-0147 Screening compound: 1-(2-methyl-1H-indol-3-yl)-2-(pyridin-2-ylsulfanyl)ethan-1-one

6359-0147 Screening compound: 1-(2-methyl-1H-indol-3-yl)-2-(pyridin-2-ylsulfanyl)ethan-1-one
6359-0147 Screening compound: 1-(2-methyl-1H-indol-3-yl)-2-(pyridin-2-ylsulfanyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6359-0147
1-(2-methyl-1H-indol-3-yl)-2-(pyridin-2-ylsulfanyl)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

6359-0147

Molecular Formula

C16H14N2OS (C16 H14 N2 OS)

Compound Name

1-(2-methyl-1H-indol-3-yl)-2-(pyridin-2-ylsulfanyl)ethan-1-one

IUPAC name

1-(2-methyl-1H-indol-3-yl)-2-(pyridin-2-ylsulfanyl)ethan-1-one

SMILES

Cc1c(C(CSc2ncccc2)=O)c(cccc2)c2[nH]1

InChI

InChI=1S/C16H14N2OS/c1-11-16(12-6-2-3-7-13(12)18-11)14(19)10-20-15-8-4-5-9-17-15/h2-9,18H,10H2,1H3

InChI Key

IQQRUFNSFFTCHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03871912

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

282.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.106

Distribution Coefficient, logD

3.106

Water Solubility, LogSw

-3.30

Polar Surface Area

31.549

Acid Dissociation Constant (pKa)

16.60

Base Dissociation Constant (pKb)

2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

6359-0147 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

GABA Library (7115 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 6359-0147 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6359-0147?
Check Price and Availability of 6359-0147, 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 6359-0147 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6359-0147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6359-0147
  • 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 6359-0147 available by request