4491-1927 Screening compound: N-(2-chlorophenyl)-4-[(5E)-4-oxo-2-sulfanylidene-5-[(thiophen-2-yl)methylidene]-1,3-thiazolidin-3-yl]butanamide

4491-1927 Screening compound: N-(2-chlorophenyl)-4-[(5E)-4-oxo-2-sulfanylidene-5-[(thiophen-2-yl)methylidene]-1,3-thiazolidin-3-yl]butanamide
4491-1927 Screening compound: N-(2-chlorophenyl)-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 4491-1927
N-(2-chlorophenyl)-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

4491-1927

Molecular Formula

C18H15ClN2O2S3 (C18 H15 ClN2 O2 S3)

Compound Name

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

IUPAC name

N-(2-chlorophenyl)-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(cccc1)c1Cl

InChI

InChI=1S/C18H15ClN2O2S3/c19-13-6-1-2-7-14(13)20-16(22)8-3-9-21-17(23)15(26-18(21)24)11-12-5-4-10-25-12/h1-2,4-7,10-11H,3,8-9H2,(H,20,22)

InChI Key

KSPANLMQVCFGIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02655227

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.98

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

3.330

Distribution Coefficient, logD

3.330

Water Solubility, LogSw

-3.48

Polar Surface Area

39.891

Acid Dissociation Constant (pKa)

10.64

Base Dissociation Constant (pKb)

-4.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with 4491-1927 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4491-1927?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4491-1927
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4491-1927
  • 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 4491-1927 available by request