2141-0131 Screening compound: (5Z)-5-[1-(4-bromophenyl)ethylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

2141-0131 Screening compound: (5Z)-5-[1-(4-bromophenyl)ethylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
2141-0131 Screening compound: (5Z)-5-[1-(4-bromophenyl)ethylidene]-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2141-0131
(5Z)-5-[1-(4-bromophenyl)ethylidene]-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

2141-0131

Molecular Formula

C11H8BrNOS2 (C11 H8 BrNOS2)

Compound Name

(5Z)-5-[1-(4-bromophenyl)ethylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

IUPAC name

(5Z)-5-[1-(4-bromophenyl)ethylidene]-2-sulfanylidene-13-thiazolidin-4-one

SMILES

C/C(/c(cc1)ccc1Br)=C(\C(N1)=O)/SC1=S

InChI

InChI=1S/C11H8BrNOS2/c1-6(7-2-4-8(12)5-3-7)9-10(14)13-11(15)16-9/h2-5H,1H3,(H,13,14,15)

InChI Key

OBRPCNBOXUKRNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02084277

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.23

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.305

Distribution Coefficient, logD

0.896

Water Solubility, LogSw

-3.50

Polar Surface Area

24.900

Acid Dissociation Constant (pKa)

4.99

Base Dissociation Constant (pKb)

0.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

2141-0131 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2141-0131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2141-0131?
Check Price and Availability of 2141-0131, 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 2141-0131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2141-0131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2141-0131
  • 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 2141-0131 available by request