5593-0352 Screening compound: 2-{3-[2-(4-chlorophenyl)ethyl]-5-oxo-1-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl}-N-phenylacetamide

5593-0352 Screening compound: 2-{3-[2-(4-chlorophenyl)ethyl]-5-oxo-1-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl}-N-phenylacetamide
5593-0352 Screening compound: 2-{3-[2-(4-chlorophenyl)ethyl]-5-oxo-1-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl}-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5593-0352
2-{3-[2-(4-chlorophenyl)ethyl]-5-oxo-1-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl}-N-phenylacetamide

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

5593-0352

Molecular Formula

C27H26ClN3O2S (C27 H26 ClN3 O2 S)

Compound Name

2-{3-[2-(4-chlorophenyl)ethyl]-5-oxo-1-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl}-N-phenylacetamide

IUPAC name

2-{3-[2-(4-chlorophenyl)ethyl]-5-oxo-1-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl}-N-phenylacetamide

SMILES

O=C(CC(C(N1CCc2ccccc2)=O)N(CCc(cc2)ccc2Cl)C1=S)Nc1ccccc1

InChI

InChI=1S/C27H26ClN3O2S/c28-22-13-11-21(12-14-22)15-17-30-24(19-25(32)29-23-9-5-2-6-10-23)26(33)31(27(30)34)18-16-20-7-3-1-4-8-20/h1-14,24H,15-19H2,(H,29,32)/t24-/m0/s1

InChI Key

USKQDMVGNIGZIK-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD02142993

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.04

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.995

Distribution Coefficient, logD

4.995

Water Solubility, LogSw

-5.13

Polar Surface Area

41.965

Acid Dissociation Constant (pKa)

12.18

Base Dissociation Constant (pKb)

2.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

5593-0352 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 5593-0352 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5593-0352?
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What is the minimum amount of 5593-0352 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5593-0352
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5593-0352
  • 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 5593-0352 available by request