8016-6893 Screening compound: 3-propoxy-5-(propylsulfanyl)-4-isothiazolecarbonitrile

8016-6893 Screening compound: 3-propoxy-5-(propylsulfanyl)-4-isothiazolecarbonitrile
8016-6893 Screening compound: 3-propoxy-5-(propylsulfanyl)-4-isothiazolecarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-6893
3-propoxy-5-(propylsulfanyl)-4-isothiazolecarbonitrile

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

8016-6893

Molecular Formula

C10H14N2OS2 (C10 H14 N2 OS2)

Compound Name

3-propoxy-5-(propylsulfanyl)-4-isothiazolecarbonitrile

IUPAC name

3-propoxy-5-(propylsulfanyl)-12-thiazole-4-carbonitrile

SMILES

CCCOc1nsc(SCCC)c1C#N

InChI

InChI=1S/C10H14N2OS2/c1-3-5-13-9-8(7-11)10(15-12-9)14-6-4-2/h3-6H2,1-2H3

InChI Key

GWZNWGATLDQLKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05858363

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

242.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.811

Distribution Coefficient, logD

3.811

Water Solubility, LogSw

-4.03

Polar Surface Area

35.961

Acid Dissociation Constant (pKa)

27.73

Base Dissociation Constant (pKb)

-4.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

8016-6893 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8016-6893 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-6893?
Check Price and Availability of 8016-6893, 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 8016-6893 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-6893
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-6893
  • 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 8016-6893 available by request