5593-0503 Screening compound: methyl 2-[3-(4-chlorophenyl)-5-{[(4-fluorophenyl)carbamoyl]methyl}-4-oxo-2-sulfanylideneimidazolidin-1-yl]acetate

5593-0503 Screening compound: methyl 2-[3-(4-chlorophenyl)-5-{[(4-fluorophenyl)carbamoyl]methyl}-4-oxo-2-sulfanylideneimidazolidin-1-yl]acetate
5593-0503 Screening compound: methyl 2-[3-(4-chlorophenyl)-5-{[(4-fluorophenyl)carbamoyl]methyl}-4-oxo-2-sulfanylideneimidazolidin-1-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5593-0503
methyl 2-[3-(4-chlorophenyl)-5-{[(4-fluorophenyl)carbamoyl]methyl}-4-oxo-2-sulfanylideneimidazolidin-1-yl]acetate

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

5593-0503

Molecular Formula

C20H17ClFN3O4S (C20 H17 ClFN3 O4 S)

Compound Name

methyl 2-[3-(4-chlorophenyl)-5-{[(4-fluorophenyl)carbamoyl]methyl}-4-oxo-2-sulfanylideneimidazolidin-1-yl]acetate

IUPAC name

methyl 2-[3-(4-chlorophenyl)-5-{[(4-fluorophenyl)carbamoyl]methyl}-4-oxo-2-sulfanylideneimidazolidin-1-yl]acetate

SMILES

COC(CN(C(CC(Nc(cc1)ccc1F)=O)C(N1c(cc2)ccc2Cl)=O)C1=S)=O

InChI

InChI=1S/C20H17ClFN3O4S/c1-29-18(27)11-24-16(10-17(26)23-14-6-4-13(22)5-7-14)19(28)25(20(24)30)15-8-2-12(21)3-9-15/h2-9,16H,10-11H2,1H3,(H,23,26)/t16-/m1/s1

InChI Key

JTMTYCLRTRCGOP-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD02142444

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.89

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.440

Distribution Coefficient, logD

2.440

Water Solubility, LogSw

-3.27

Polar Surface Area

62.247

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

0.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

5593-0503 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 5593-0503 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5593-0503?
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What is the minimum amount of 5593-0503 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5593-0503
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5593-0503
  • 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 5593-0503 available by request