3232-1439 Screening compound: N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[(5Z)-4-oxo-5-(phenylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide

3232-1439 Screening compound: N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[(5Z)-4-oxo-5-(phenylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide
3232-1439 Screening compound: N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[(5Z)-4-oxo-5-(phenylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3232-1439
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[(5Z)-4-oxo-5-(phenylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide

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

3232-1439

Molecular Formula

C15H13N3O2S3 (C15 H13 N3 O2 S3)

Compound Name

N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[(5Z)-4-oxo-5-(phenylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide

IUPAC name

N-(45-dihydro-13-thiazol-2-yl)-2-[(5Z)-4-oxo-5-(phenylmethylidene)-2-sulfanylidene-13-thiazolidin-3-yl]acetamide

SMILES

O=C(CN(C(/C(/S1)=C/c2ccccc2)=O)C1=S)NC1=NCCS1

InChI

InChI=1S/C15H13N3O2S3/c19-12(17-14-16-6-7-22-14)9-18-13(20)11(23-15(18)21)8-10-4-2-1-3-5-10/h1-5,8H,6-7,9H2,(H,16,17,19)

InChI Key

NMHCXYSQDOPRRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01917196

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.460

Distribution Coefficient, logD

2.459

Water Solubility, LogSw

-2.76

Polar Surface Area

49.038

Acid Dissociation Constant (pKa)

11.80

Base Dissociation Constant (pKb)

4.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

3232-1439 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 3232-1439 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3232-1439?
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What is the minimum amount of 3232-1439 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3232-1439
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3232-1439
  • 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 3232-1439 available by request