5593-2261 Screening compound: 2-{3-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(2,4-dimethylphenyl)acetamide

5593-2261 Screening compound: 2-{3-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(2,4-dimethylphenyl)acetamide
5593-2261 Screening compound: 2-{3-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(2,4-dimethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5593-2261
2-{3-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(2,4-dimethylphenyl)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

5593-2261

Molecular Formula

C26H23ClFN3O2S (C26 H23 ClFN3 O2 S)

Compound Name

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

IUPAC name

2-{3-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(24-dimethylphenyl)acetamide

SMILES

Cc(cc1)cc(C)c1NC(CC(C(N1c(cc2)ccc2F)=O)N(Cc(cccc2)c2Cl)C1=S)=O

InChI

InChI=1S/C26H23ClFN3O2S/c1-16-7-12-22(17(2)13-16)29-24(32)14-23-25(33)31(20-10-8-19(28)9-11-20)26(34)30(23)15-18-5-3-4-6-21(18)27/h3-13,23H,14-15H2,1-2H3,(H,29,32)/t23-/m0/s1

InChI Key

QQCACMZBZSFIPR-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD03449142

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

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.878

Distribution Coefficient, logD

4.878

Water Solubility, LogSw

-4.87

Polar Surface Area

40.699

Acid Dissociation Constant (pKa)

11.82

Base Dissociation Constant (pKb)

2.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.20

5593-2261 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 5593-2261 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5593-2261?
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What is the minimum amount of 5593-2261 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5593-2261
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5593-2261
  • 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 5593-2261 available by request