3128-9164 Screening compound: (5Z)-5-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

3128-9164 Screening compound: (5Z)-5-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
3128-9164 Screening compound: (5Z)-5-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3128-9164
(5Z)-5-[(3-bromo-5-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

3128-9164

Molecular Formula

C12H10BrNO3S2 (C12 H10 BrNO3 S2)

Compound Name

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

IUPAC name

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

SMILES

CCOc1cc(/C=C(/C(N2)=O)\SC2=S)cc(Br)c1O

InChI

InChI=1S/C12H10BrNO3S2/c1-2-17-8-4-6(3-7(13)10(8)15)5-9-11(16)14-12(18)19-9/h3-5,15H,2H2,1H3,(H,14,16,18)

InChI Key

BGGOTMVGOYPFNW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01471112

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.25

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.333

Distribution Coefficient, logD

0.982

Water Solubility, LogSw

-2.76

Polar Surface Area

47.589

Acid Dissociation Constant (pKa)

6.07

Base Dissociation Constant (pKb)

-0.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

3128-9164 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 3128-9164 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3128-9164?
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What is the minimum amount of 3128-9164 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3128-9164
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3128-9164
  • 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 3128-9164 available by request