2159-3435 Screening compound: N-[(5Z)-5-[(3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide

2159-3435 Screening compound: N-[(5Z)-5-[(3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide
2159-3435 Screening compound: N-[(5Z)-5-[(3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2159-3435
N-[(5Z)-5-[(3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide

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

2159-3435

Molecular Formula

C17H13N3O3S2 (C17 H13 N3 O3 S2)

Compound Name

N-[(5Z)-5-[(3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide

IUPAC name

N-[(5Z)-5-[(3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]pyridine-4-carboxamide

SMILES

COc1cccc(/C=C(/C(N2NC(c3ccncc3)=O)=O)\SC2=S)c1

InChI

InChI=1S/C17H13N3O3S2/c1-23-13-4-2-3-11(9-13)10-14-16(22)20(17(24)25-14)19-15(21)12-5-7-18-8-6-12/h2-10H,1H3,(H,19,21)

InChI Key

XETCJQBQFLVMQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01184345

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.884

Distribution Coefficient, logD

1.764

Water Solubility, LogSw

-2.24

Polar Surface Area

59.816

Acid Dissociation Constant (pKa)

7.90

Base Dissociation Constant (pKb)

3.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

2159-3435 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2159-3435 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2159-3435?
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What is the minimum amount of 2159-3435 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2159-3435
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2159-3435
  • 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 2159-3435 available by request