2389-1227 Screening compound: (5Z)-5-[(3-bromophenyl)methylidene]-3-(4-ethoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

2389-1227 Screening compound: (5Z)-5-[(3-bromophenyl)methylidene]-3-(4-ethoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
2389-1227 Screening compound: (5Z)-5-[(3-bromophenyl)methylidene]-3-(4-ethoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2389-1227
(5Z)-5-[(3-bromophenyl)methylidene]-3-(4-ethoxyphenyl)-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

2389-1227

Molecular Formula

C18H14BrNO2S2 (C18 H14 BrNO2 S2)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1N(C(/C(/S1)=C/c2cccc(Br)c2)=O)C1=S

InChI

InChI=1S/C18H14BrNO2S2/c1-2-22-15-8-6-14(7-9-15)20-17(21)16(24-18(20)23)11-12-4-3-5-13(19)10-12/h3-11H,2H2,1H3

InChI Key

RTYLOPQQPUGTHB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01841720

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.097

Distribution Coefficient, logD

5.097

Water Solubility, LogSw

-4.94

Polar Surface Area

22.954

Acid Dissociation Constant (pKa)

29.85

Base Dissociation Constant (pKb)

1.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

2389-1227 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 2389-1227 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2389-1227?
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What is the minimum amount of 2389-1227 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2389-1227
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2389-1227
  • 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 2389-1227 available by request