3232-1392 Screening compound: N-[(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-nitrobenzamide

3232-1392 Screening compound: N-[(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-nitrobenzamide
3232-1392 Screening compound: N-[(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3232-1392
N-[(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-nitrobenzamide

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

3232-1392

Molecular Formula

C18H13N3O6S2 (C18 H13 N3 O6 S2)

Compound Name

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

IUPAC name

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

SMILES

COc(cc(/C=C(/C(N1NC(c(cccc2)c2[N+]([O-])=O)=O)=O)\SC1=S)cc1)c1O

InChI

InChI=1S/C18H13N3O6S2/c1-27-14-8-10(6-7-13(14)22)9-15-17(24)20(18(28)29-15)19-16(23)11-4-2-3-5-12(11)21(25)26/h2-9,22H,1H3,(H,19,23)

InChI Key

GSKGEQJPCDEOAS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01164648

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.45

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.900

Distribution Coefficient, logD

0.650

Water Solubility, LogSw

-2.76

Polar Surface Area

100.103

Acid Dissociation Constant (pKa)

6.17

Base Dissociation Constant (pKb)

-1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

3232-1392 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3232-1392 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3232-1392?
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What is the minimum amount of 3232-1392 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3232-1392
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3232-1392
  • 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 3232-1392 available by request