5593-2185 Screening compound: 3-fluoro-N-[3-(4-methoxyphenyl)-5-[(methylcarbamoyl)methyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide

5593-2185 Screening compound: 3-fluoro-N-[3-(4-methoxyphenyl)-5-[(methylcarbamoyl)methyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide
5593-2185 Screening compound: 3-fluoro-N-[3-(4-methoxyphenyl)-5-[(methylcarbamoyl)methyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5593-2185
3-fluoro-N-[3-(4-methoxyphenyl)-5-[(methylcarbamoyl)methyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide

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

5593-2185

Molecular Formula

C20H19FN4O4S (C20 H19 FN4 O4 S)

Compound Name

3-fluoro-N-[3-(4-methoxyphenyl)-5-[(methylcarbamoyl)methyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide

IUPAC name

3-fluoro-N-[3-(4-methoxyphenyl)-5-[(methylcarbamoyl)methyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide

SMILES

CNC(CC(C(N(C1=S)c(cc2)ccc2OC)=O)N1NC(c1cc(F)ccc1)=O)=O

InChI

InChI=1S/C20H19FN4O4S/c1-22-17(26)11-16-19(28)24(14-6-8-15(29-2)9-7-14)20(30)25(16)23-18(27)12-4-3-5-13(21)10-12/h3-10,16H,11H2,1-2H3,(H,22,26)(H,23,27)/t16-/m1/s1

InChI Key

AZHZGJYNZSPKSW-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD02143754

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.914

Distribution Coefficient, logD

-3.178

Water Solubility, LogSw

-2.31

Polar Surface Area

77.086

Acid Dissociation Constant (pKa)

3.31

Base Dissociation Constant (pKb)

6.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

5593-2185 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 5593-2185 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5593-2185?
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What is the minimum amount of 5593-2185 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5593-2185
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5593-2185
  • 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 5593-2185 available by request