5593-0497 Screening compound: 2-{3-[2-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-fluorophenyl)acetamide

5593-0497 Screening compound: 2-{3-[2-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-fluorophenyl)acetamide
5593-0497 Screening compound: 2-{3-[2-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5593-0497
2-{3-[2-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)-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

5593-0497

Molecular Formula

C25H20ClF2N3O2S (C25 H20 ClF2 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CC(C(N1c(cc2)ccc2F)=O)N(CCc(cc2)ccc2Cl)C1=S)Nc(cc1)ccc1F

InChI

InChI=1S/C25H20ClF2N3O2S/c26-17-3-1-16(2-4-17)13-14-30-22(15-23(32)29-20-9-5-18(27)6-10-20)24(33)31(25(30)34)21-11-7-19(28)8-12-21/h1-12,22H,13-15H2,(H,29,32)/t22-/m0/s1

InChI Key

MXXMWMNWQYSCTJ-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD03057549

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.97

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.670

Distribution Coefficient, logD

4.669

Water Solubility, LogSw

-4.95

Polar Surface Area

41.375

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

0.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.00

5593-0497 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 5593-0497 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5593-0497?
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What is the minimum amount of 5593-0497 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5593-0497
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5593-0497
  • 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 5593-0497 available by request