6359-0139 Screening compound: 2-(2-methyl-1H-indol-3-yl)-2-oxoethyl piperidine-1-carbodithioate

6359-0139 Screening compound: 2-(2-methyl-1H-indol-3-yl)-2-oxoethyl piperidine-1-carbodithioate
6359-0139 Screening compound: 2-(2-methyl-1H-indol-3-yl)-2-oxoethyl piperidine-1-carbodithioate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6359-0139
2-(2-methyl-1H-indol-3-yl)-2-oxoethyl piperidine-1-carbodithioate

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

6359-0139

Molecular Formula

C17H20N2OS2 (C17 H20 N2 OS2)

Compound Name

2-(2-methyl-1H-indol-3-yl)-2-oxoethyl piperidine-1-carbodithioate

IUPAC name

2-(2-methyl-1H-indol-3-yl)-2-oxoethyl piperidine-1-carbodithioate

SMILES

Cc1c(C(CSC(N2CCCCC2)=S)=O)c(cccc2)c2[nH]1

InChI

InChI=1S/C17H20N2OS2/c1-12-16(13-7-3-4-8-14(13)18-12)15(20)11-22-17(21)19-9-5-2-6-10-19/h3-4,7-8,18H,2,5-6,9-11H2,1H3

InChI Key

QZAPYWOVBPZHAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03871906

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.976

Distribution Coefficient, logD

3.976

Water Solubility, LogSw

-4.28

Polar Surface Area

26.232

Acid Dissociation Constant (pKa)

16.60

Base Dissociation Constant (pKb)

0.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

6359-0139 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6359-0139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6359-0139?
Check Price and Availability of 6359-0139, 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 6359-0139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6359-0139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6359-0139
  • 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 6359-0139 available by request