8006-6836 Screening compound: 2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)ethyl thiomorpholine-4-carbodithioate

8006-6836 Screening compound: 2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)ethyl thiomorpholine-4-carbodithioate
8006-6836 Screening compound: 2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)ethyl thiomorpholine-4-carbodithioate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-6836
2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)ethyl thiomorpholine-4-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

8006-6836

Molecular Formula

C15H18N2OS3 (C15 H18 N2 OS3)

Compound Name

2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)ethyl thiomorpholine-4-carbodithioate

IUPAC name

2-(1-oxo-23-dihydro-1H-isoindol-2-yl)ethyl thiomorpholine-4-carbodithioate

SMILES

O=C1N(CCSC(N2CCSCC2)=S)Cc2c1cccc2

InChI

InChI=1S/C15H18N2OS3/c18-14-13-4-2-1-3-12(13)11-17(14)7-10-21-15(19)16-5-8-20-9-6-16/h1-4H,5-11H2

InChI Key

XNCMLHWNCRWLSZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00761930

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.447

Distribution Coefficient, logD

2.447

Water Solubility, LogSw

-2.82

Polar Surface Area

19.955

Acid Dissociation Constant (pKa)

23.05

Base Dissociation Constant (pKb)

3.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.70

8006-6836 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 8006-6836 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-6836?
Check Price and Availability of 8006-6836, 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 8006-6836 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-6836
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-6836
  • 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 8006-6836 available by request