5593-0499 Screening compound: 2-{1-benzyl-3-[2-(4-chlorophenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-fluorophenyl)acetamide

5593-0499 Screening compound: 2-{1-benzyl-3-[2-(4-chlorophenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-fluorophenyl)acetamide
5593-0499 Screening compound: 2-{1-benzyl-3-[2-(4-chlorophenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5593-0499
2-{1-benzyl-3-[2-(4-chlorophenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-fluorophenyl)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

5593-0499

Molecular Formula

C26H23ClFN3O2S (C26 H23 ClFN3 O2 S)

Compound Name

2-{1-benzyl-3-[2-(4-chlorophenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-fluorophenyl)acetamide

IUPAC name

2-{1-benzyl-3-[2-(4-chlorophenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-fluorophenyl)acetamide

SMILES

O=C(CC(C(N1Cc2ccccc2)=O)N(CCc(cc2)ccc2Cl)C1=S)Nc(cc1)ccc1F

InChI

InChI=1S/C26H23ClFN3O2S/c27-20-8-6-18(7-9-20)14-15-30-23(16-24(32)29-22-12-10-21(28)11-13-22)25(33)31(26(30)34)17-19-4-2-1-3-5-19/h1-13,23H,14-17H2,(H,29,32)/t23-/m0/s1

InChI Key

GEODQTQFMMEDSL-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD02142984

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.116

Distribution Coefficient, logD

5.116

Water Solubility, LogSw

-5.54

Polar Surface Area

41.987

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

-0.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.20

5593-0499 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5593-0499 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5593-0499?
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What is the minimum amount of 5593-0499 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5593-0499
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5593-0499
  • 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 5593-0499 available by request