1889-2447 Screening compound: N-[(5Z)-5-[(4-HYDROXYPHENYL)METHYLIDENE]-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-3-YL]-3-NITROBENZAMIDE

1889-2447 Screening compound: N-[(5Z)-5-[(4-HYDROXYPHENYL)METHYLIDENE]-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-3-YL]-3-NITROBENZAMIDE
1889-2447 Screening compound: N-[(5Z)-5-[(4-HYDROXYPHENYL)METHYLIDENE]-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-3-YL]-3-NITROBENZAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound 1889-2447
N-[(5Z)-5-[(4-HYDROXYPHENYL)METHYLIDENE]-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-3-YL]-3-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

1889-2447

Molecular Formula

C17H11N3O5S2 (C17 H11 N3 O5 S2)

Compound Name

N-[(5Z)-5-[(4-HYDROXYPHENYL)METHYLIDENE]-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-3-YL]-3-NITROBENZAMIDE

IUPAC name

n/a

SMILES

[O-][N+](c1cccc(C(NN(C(/C(/S2)=C/c(cc3)ccc3O)=O)C2=S)=O)c1)=O

InChI

InChI=1S/C17H11N3O5S2/c21-13-6-4-10(5-7-13)8-14-16(23)19(17(26)27-14)18-15(22)11-2-1-3-12(9-11)20(24)25/h1-9,21H,(H,18,22)

InChI Key

AYQQKBJKAHZRPH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00845293

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.42

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.503

Distribution Coefficient, logD

2.243

Water Solubility, LogSw

-2.68

Polar Surface Area

93.842

Acid Dissociation Constant (pKa)

7.49

Base Dissociation Constant (pKb)

0.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1889-2447 in Drug Discovery

Included in Screening Libraries

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 1889-2447 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1889-2447 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1889-2447
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1889-2447
  • 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 1889-2447 available by request