2189-1002 Screening compound: (5Z)-3-(3-bromophenyl)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

2189-1002 Screening compound: (5Z)-3-(3-bromophenyl)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
2189-1002 Screening compound: (5Z)-3-(3-bromophenyl)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2189-1002
(5Z)-3-(3-bromophenyl)-5-[(3-ethoxy-4-hydroxyphenyl)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

2189-1002

Molecular Formula

C18H14BrNO3S2 (C18 H14 BrNO3 S2)

Compound Name

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

IUPAC name

(5Z)-3-(3-bromophenyl)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-sulfanylidene-13-thiazolidin-4-one

SMILES

CCOc(cc(/C=C(/C(N1c2cccc(Br)c2)=O)\SC1=S)cc1)c1O

InChI

InChI=1S/C18H14BrNO3S2/c1-2-23-15-8-11(6-7-14(15)21)9-16-17(22)20(18(24)25-16)13-5-3-4-12(19)10-13/h3-10,21H,2H2,1H3

InChI Key

OBQVQQBTUXRMGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00841240

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.440

Distribution Coefficient, logD

4.437

Water Solubility, LogSw

-3.97

Polar Surface Area

39.589

Acid Dissociation Constant (pKa)

9.63

Base Dissociation Constant (pKb)

-0.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with 2189-1002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2189-1002?
Check Price and Availability of 2189-1002, 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 2189-1002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2189-1002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2189-1002
  • 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 2189-1002 available by request