5593-2539 Screening compound: 2-{1-ethyl-3-[2-(4-fluorophenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(3-methoxyphenyl)acetamide

5593-2539 Screening compound: 2-{1-ethyl-3-[2-(4-fluorophenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(3-methoxyphenyl)acetamide
5593-2539 Screening compound: 2-{1-ethyl-3-[2-(4-fluorophenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(3-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5593-2539
2-{1-ethyl-3-[2-(4-fluorophenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(3-methoxyphenyl)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

5593-2539

Molecular Formula

C22H24FN3O3S (C22 H24 FN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCN(C(C(CC(Nc1cc(OC)ccc1)=O)N1CCc(cc2)ccc2F)=O)C1=S

InChI

InChI=1S/C22H24FN3O3S/c1-3-25-21(28)19(14-20(27)24-17-5-4-6-18(13-17)29-2)26(22(25)30)12-11-15-7-9-16(23)10-8-15/h4-10,13,19H,3,11-12,14H2,1-2H3,(H,24,27)/t19-/m1/s1

InChI Key

YSVXBYXMLCNVNS-LJQANCHMSA-N

MDL Number (MFCD)

MFCD03449158

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.286

Distribution Coefficient, logD

3.286

Water Solubility, LogSw

-3.53

Polar Surface Area

49.527

Acid Dissociation Constant (pKa)

11.20

Base Dissociation Constant (pKb)

0.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

5593-2539 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 5593-2539 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5593-2539?
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What is the minimum amount of 5593-2539 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5593-2539
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5593-2539
  • 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 5593-2539 available by request