8011-0479 Screening compound: N-[3-(4-chlorophenyl)-5-{[(3,5-dichlorophenyl)carbamoyl]methyl}-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide

8011-0479 Screening compound: N-[3-(4-chlorophenyl)-5-{[(3,5-dichlorophenyl)carbamoyl]methyl}-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide
8011-0479 Screening compound: N-[3-(4-chlorophenyl)-5-{[(3,5-dichlorophenyl)carbamoyl]methyl}-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-0479
N-[3-(4-chlorophenyl)-5-{[(3,5-dichlorophenyl)carbamoyl]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

8011-0479

Molecular Formula

C24H17Cl3N4O3S (C24 H17 Cl3 N4 O3 S)

Compound Name

N-[3-(4-chlorophenyl)-5-{[(3,5-dichlorophenyl)carbamoyl]methyl}-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide

IUPAC name

N-[3-(4-chlorophenyl)-5-{[(35-dichlorophenyl)carbamoyl]methyl}-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide

SMILES

O=C(CC(C(N(C1=S)c(cc2)ccc2Cl)=O)N1NC(c1ccccc1)=O)Nc1cc(Cl)cc(Cl)c1

InChI

InChI=1S/C24H17Cl3N4O3S/c25-15-6-8-19(9-7-15)30-23(34)20(13-21(32)28-18-11-16(26)10-17(27)12-18)31(24(30)35)29-22(33)14-4-2-1-3-5-14/h1-12,20H,13H2,(H,28,32)(H,29,33)/t20-/m0/s1

InChI Key

OXVODZXGFAJEIW-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD02143875

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

547.85

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.872

Distribution Coefficient, logD

1.679

Water Solubility, LogSw

-5.08

Polar Surface Area

67.798

Acid Dissociation Constant (pKa)

4.21

Base Dissociation Constant (pKb)

-0.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.30

8011-0479 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 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 8011-0479 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-0479?
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What is the minimum amount of 8011-0479 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-0479
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-0479
  • 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 8011-0479 available by request