5593-2179 Screening compound: N-[3-(4-methoxyphenyl)-4-oxo-5-[(phenylcarbamoyl)methyl]-2-sulfanylideneimidazolidin-1-yl]hexanamide

5593-2179 Screening compound: N-[3-(4-methoxyphenyl)-4-oxo-5-[(phenylcarbamoyl)methyl]-2-sulfanylideneimidazolidin-1-yl]hexanamide
5593-2179 Screening compound: N-[3-(4-methoxyphenyl)-4-oxo-5-[(phenylcarbamoyl)methyl]-2-sulfanylideneimidazolidin-1-yl]hexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5593-2179
N-[3-(4-methoxyphenyl)-4-oxo-5-[(phenylcarbamoyl)methyl]-2-sulfanylideneimidazolidin-1-yl]hexanamide

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

5593-2179

Molecular Formula

C24H28N4O4S (C24 H28 N4 O4 S)

Compound Name

N-[3-(4-methoxyphenyl)-4-oxo-5-[(phenylcarbamoyl)methyl]-2-sulfanylideneimidazolidin-1-yl]hexanamide

IUPAC name

N-[3-(4-methoxyphenyl)-4-oxo-5-[(phenylcarbamoyl)methyl]-2-sulfanylideneimidazolidin-1-yl]hexanamide

SMILES

CCCCCC(NN(C(CC(Nc1ccccc1)=O)C(N1c(cc2)ccc2OC)=O)C1=S)=O

InChI

InChI=1S/C24H28N4O4S/c1-3-4-6-11-21(29)26-28-20(16-22(30)25-17-9-7-5-8-10-17)23(31)27(24(28)33)18-12-14-19(32-2)15-13-18/h5,7-10,12-15,20H,3-4,6,11,16H2,1-2H3,(H,25,30)(H,26,29)/t20-/m1/s1

InChI Key

PYKFNTFUOPPJSJ-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD03453736

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.890

Distribution Coefficient, logD

1.005

Water Solubility, LogSw

-3.47

Polar Surface Area

75.400

Acid Dissociation Constant (pKa)

5.52

Base Dissociation Constant (pKb)

3.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

5593-2179 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5593-2179 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5593-2179?
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What is the minimum amount of 5593-2179 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5593-2179
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5593-2179
  • 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 5593-2179 available by request