8018-1616 Screening compound: 3-isopropoxy-5-(isopropylsulfanyl)-4-isothiazolecarbonitrile

8018-1616 Screening compound: 3-isopropoxy-5-(isopropylsulfanyl)-4-isothiazolecarbonitrile
8018-1616 Screening compound: 3-isopropoxy-5-(isopropylsulfanyl)-4-isothiazolecarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-1616
3-isopropoxy-5-(isopropylsulfanyl)-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

8018-1616

Molecular Formula

C10H14N2OS2 (C10 H14 N2 OS2)

Compound Name

3-isopropoxy-5-(isopropylsulfanyl)-4-isothiazolecarbonitrile

IUPAC name

3-(propan-2-yloxy)-5-(propan-2-ylsulfanyl)-12-thiazole-4-carbonitrile

SMILES

CC(C)Oc1nsc(SC(C)C)c1C#N

InChI

InChI=1S/C10H14N2OS2/c1-6(2)13-9-8(5-11)10(15-12-9)14-7(3)4/h6-7H,1-4H3

InChI Key

IBBRBPFBCIRABE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07023045

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

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.785

Distribution Coefficient, logD

3.785

Water Solubility, LogSw

-4.17

Polar Surface Area

35.346

Acid Dissociation Constant (pKa)

25.21

Base Dissociation Constant (pKb)

-4.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

References: we are preparing a list of scientific research reports with 8018-1616 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-1616?
Check Price and Availability of 8018-1616, 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 8018-1616 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-1616
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-1616
  • 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 8018-1616 available by request