3229-2089 Screening compound: 2-[(5E)-5-[(3,5-dibromo-4-ethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

3229-2089 Screening compound: 2-[(5E)-5-[(3,5-dibromo-4-ethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
3229-2089 Screening compound: 2-[(5E)-5-[(3,5-dibromo-4-ethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3229-2089
2-[(5E)-5-[(3,5-dibromo-4-ethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic 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

3229-2089

Molecular Formula

C14H11Br2NO4S2 (C14 H11 Br2 NO4 S2)

Compound Name

2-[(5E)-5-[(3,5-dibromo-4-ethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

IUPAC name

2-[(5E)-5-[(35-dibromo-4-ethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]acetic acid

SMILES

CCOc(c(Br)cc(/C=C(\C(N1CC(O)=O)=O)/SC1=S)c1)c1Br

InChI

InChI=1S/C14H11Br2NO4S2/c1-2-21-12-8(15)3-7(4-9(12)16)5-10-13(20)17(6-11(18)19)14(22)23-10/h3-5H,2,6H2,1H3,(H,18,19)

InChI Key

XYKRXWPHPBJWPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01963649

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.19

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.914

Distribution Coefficient, logD

-0.205

Water Solubility, LogSw

-3.07

Polar Surface Area

52.395

Acid Dissociation Constant (pKa)

4.28

Base Dissociation Constant (pKb)

-2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with 3229-2089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3229-2089?
Check Price and Availability of 3229-2089, 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 3229-2089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3229-2089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3229-2089
  • 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 3229-2089 available by request