8013-5592 Screening compound: N-[5-(carbamoylmethyl)-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]-3-methoxybenzamide

8013-5592 Screening compound: N-[5-(carbamoylmethyl)-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]-3-methoxybenzamide
8013-5592 Screening compound: N-[5-(carbamoylmethyl)-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]-3-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-5592
N-[5-(carbamoylmethyl)-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]-3-methoxybenzamide

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

8013-5592

Molecular Formula

C19H18N4O4S (C19 H18 N4 O4 S)

Compound Name

N-[5-(carbamoylmethyl)-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]-3-methoxybenzamide

IUPAC name

N-[5-(carbamoylmethyl)-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]-3-methoxybenzamide

SMILES

COc1cccc(C(NN(C(CC(N)=O)C(N2c3ccccc3)=O)C2=S)=O)c1

InChI

InChI=1S/C19H18N4O4S/c1-27-14-9-5-6-12(10-14)17(25)21-23-15(11-16(20)24)18(26)22(19(23)28)13-7-3-2-4-8-13/h2-10,15H,11H2,1H3,(H2,20,24)(H,21,25)/t15-/m1/s1

InChI Key

KAAMTIZQCZGSQW-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD03675302

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.737

Distribution Coefficient, logD

-1.849

Water Solubility, LogSw

-2.17

Polar Surface Area

85.852

Acid Dissociation Constant (pKa)

4.82

Base Dissociation Constant (pKb)

6.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.80

8013-5592 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Cardiovascular
Agro:
  • Agro
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 8013-5592 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-5592?
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What is the minimum amount of 8013-5592 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-5592
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-5592
  • 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 8013-5592 available by request