8008-3423 Screening compound: 3,5-bis(propylsulfanyl)-4-isothiazolecarboxylic acid

8008-3423 Screening compound: 3,5-bis(propylsulfanyl)-4-isothiazolecarboxylic acid
8008-3423 Screening compound: 3,5-bis(propylsulfanyl)-4-isothiazolecarboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-3423
3,5-bis(propylsulfanyl)-4-isothiazolecarboxylic acid

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

8008-3423

Molecular Formula

C10H15NO2S3 (C10 H15 NO2 S3)

Compound Name

3,5-bis(propylsulfanyl)-4-isothiazolecarboxylic acid

IUPAC name

bis(propylsulfanyl)-12-thiazole-4-carboxylic acid

SMILES

CCCSc1nsc(SCCC)c1C(O)=O

InChI

InChI=1S/C10H15NO2S3/c1-3-5-14-8-7(9(12)13)10(16-11-8)15-6-4-2/h3-6H2,1-2H3,(H,12,13)

InChI Key

GAGWJELWTPQHIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01306002

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

277.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.904

Distribution Coefficient, logD

0.825

Water Solubility, LogSw

-3.98

Polar Surface Area

39.269

Acid Dissociation Constant (pKa)

4.32

Base Dissociation Constant (pKb)

-3.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

References: we are preparing a list of scientific research reports with 8008-3423 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-3423?
Check Price and Availability of 8008-3423, 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 8008-3423 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-3423
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-3423
  • 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 8008-3423 available by request