4489-3119 Screening compound: (5E)-3-(4-chlorophenyl)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

4489-3119 Screening compound: (5E)-3-(4-chlorophenyl)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
4489-3119 Screening compound: (5E)-3-(4-chlorophenyl)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4489-3119
(5E)-3-(4-chlorophenyl)-5-[(4-hydroxy-3-nitrophenyl)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

4489-3119

Molecular Formula

C16H9ClN2O4S2 (C16 H9 ClN2 O4 S2)

Compound Name

(5E)-3-(4-chlorophenyl)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

IUPAC name

(5E)-3-(4-chlorophenyl)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-2-sulfanylidene-13-thiazolidin-4-one

SMILES

[O-][N+](c(cc(/C=C(\C(N1c(cc2)ccc2Cl)=O)/SC1=S)cc1)c1O)=O

InChI

InChI=1S/C16H9ClN2O4S2/c17-10-2-4-11(5-3-10)18-15(21)14(25-16(18)24)8-9-1-6-13(20)12(7-9)19(22)23/h1-8,20H

InChI Key

XXIATVPAMIKIIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02614992

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.84

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.342

Distribution Coefficient, logD

3.549

Water Solubility, LogSw

-4.78

Polar Surface Area

65.460

Acid Dissociation Constant (pKa)

6.68

Base Dissociation Constant (pKb)

-0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

4489-3119 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 4489-3119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4489-3119?
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What is the minimum amount of 4489-3119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4489-3119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4489-3119
  • 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 4489-3119 available by request