8010-9804 Screening compound: N-{3-ethyl-5-[(methylcarbamoyl)methyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl}benzamide

8010-9804 Screening compound: N-{3-ethyl-5-[(methylcarbamoyl)methyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl}benzamide
8010-9804 Screening compound: N-{3-ethyl-5-[(methylcarbamoyl)methyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-9804
N-{3-ethyl-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

8010-9804

Molecular Formula

C15H18N4O3S (C15 H18 N4 O3 S)

Compound Name

N-{3-ethyl-5-[(methylcarbamoyl)methyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl}benzamide

IUPAC name

N-{3-ethyl-5-[(methylcarbamoyl)methyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl}benzamide

SMILES

CCN(C(C(CC(NC)=O)N1NC(c2ccccc2)=O)=O)C1=S

InChI

InChI=1S/C15H18N4O3S/c1-3-18-14(22)11(9-12(20)16-2)19(15(18)23)17-13(21)10-7-5-4-6-8-10/h4-8,11H,3,9H2,1-2H3,(H,16,20)(H,17,21)/t11-/m1/s1

InChI Key

ZCRYHTWNWVNEEQ-LLVKDONJSA-N

MDL Number (MFCD)

MFCD02143349

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.123

Distribution Coefficient, logD

-5.077

Water Solubility, LogSw

-2.06

Polar Surface Area

70.150

Acid Dissociation Constant (pKa)

2.45

Base Dissociation Constant (pKb)

6.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

8010-9804 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Dark Chemical Matter Library (18430 compounds)

Lipid Metabolism Library (9174 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8010-9804 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-9804?
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What is the minimum amount of 8010-9804 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-9804
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-9804
  • 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 8010-9804 available by request