1588-0100 Screening compound: (5E)-3-ethyl-5-[(pyridin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

1588-0100 Screening compound: (5E)-3-ethyl-5-[(pyridin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
1588-0100 Screening compound: (5E)-3-ethyl-5-[(pyridin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1588-0100
(5E)-3-ethyl-5-[(pyridin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

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

1588-0100

Molecular Formula

C11H10N2OS2 (C11 H10 N2 OS2)

Compound Name

(5E)-3-ethyl-5-[(pyridin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

IUPAC name

(5E)-3-ethyl-5-[(pyridin-3-yl)methylidene]-2-sulfanylidene-13-thiazolidin-4-one

SMILES

CCN(C(/C(/S1)=C\c2cnccc2)=O)C1=S

InChI

InChI=1S/C11H10N2OS2/c1-2-13-10(14)9(16-11(13)15)6-8-4-3-5-12-7-8/h3-7H,2H2,1H3

InChI Key

BXVWDRQDNRGBSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01080112

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

250.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.947

Distribution Coefficient, logD

1.947

Water Solubility, LogSw

-1.72

Polar Surface Area

25.956

Acid Dissociation Constant (pKa)

30.32

Base Dissociation Constant (pKb)

1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

1588-0100 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1588-0100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1588-0100?
Check Price and Availability of 1588-0100, 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 1588-0100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1588-0100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1588-0100
  • 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 1588-0100 available by request