3324-0026 Screening compound: N-(3-chloro-4-fluorophenyl)-4-[(5E)-4-oxo-2-sulfanylidene-5-[(thiophen-2-yl)methylidene]-1,3-thiazolidin-3-yl]butanamide

3324-0026 Screening compound: N-(3-chloro-4-fluorophenyl)-4-[(5E)-4-oxo-2-sulfanylidene-5-[(thiophen-2-yl)methylidene]-1,3-thiazolidin-3-yl]butanamide
3324-0026 Screening compound: N-(3-chloro-4-fluorophenyl)-4-[(5E)-4-oxo-2-sulfanylidene-5-[(thiophen-2-yl)methylidene]-1,3-thiazolidin-3-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3324-0026
N-(3-chloro-4-fluorophenyl)-4-[(5E)-4-oxo-2-sulfanylidene-5-[(thiophen-2-yl)methylidene]-1,3-thiazolidin-3-yl]butanamide

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

3324-0026

Molecular Formula

C18H14ClFN2O2S3 (C18 H14 ClFN2 O2 S3)

Compound Name

N-(3-chloro-4-fluorophenyl)-4-[(5E)-4-oxo-2-sulfanylidene-5-[(thiophen-2-yl)methylidene]-1,3-thiazolidin-3-yl]butanamide

IUPAC name

N-(3-chloro-4-fluorophenyl)-4-[(5E)-4-oxo-2-sulfanylidene-5-[(thiophen-2-yl)methylidene]-13-thiazolidin-3-yl]butanamide

SMILES

O=C(CCCN(C(/C(/S1)=C\c2cccs2)=O)C1=S)Nc(cc1)cc(Cl)c1F

InChI

InChI=1S/C18H14ClFN2O2S3/c19-13-9-11(5-6-14(13)20)21-16(23)4-1-7-22-17(24)15(27-18(22)25)10-12-3-2-8-26-12/h2-3,5-6,8-10H,1,4,7H2,(H,21,23)

InChI Key

KIQBMERGARWITO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02165550

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.97

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.009

Distribution Coefficient, logD

3.994

Water Solubility, LogSw

-4.38

Polar Surface Area

40.588

Acid Dissociation Constant (pKa)

8.85

Base Dissociation Constant (pKb)

-4.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

3324-0026 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3324-0026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3324-0026?
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What is the minimum amount of 3324-0026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3324-0026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3324-0026
  • 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 3324-0026 available by request