E942-0168 Screening compound: 1-[(2-ethoxyphenyl)methyl]-3-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea

E942-0168 Screening compound: 1-[(2-ethoxyphenyl)methyl]-3-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
E942-0168 Screening compound: 1-[(2-ethoxyphenyl)methyl]-3-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E942-0168
1-[(2-ethoxyphenyl)methyl]-3-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea

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

E942-0168

Molecular Formula

C23H27N3O3 (C23 H27 N3 O3)

Compound Name

1-[(2-ethoxyphenyl)methyl]-3-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea

IUPAC name

1-[(2-ethoxyphenyl)methyl]-3-[2-(2-methylpropyl)-1-oxo-12-dihydroisoquinolin-4-yl]urea

SMILES

CCOc1c(CNC(NC(c2c3cccc2)=CN(CC(C)C)C3=O)=O)cccc1

InChI

InChI=1S/C23H27N3O3/c1-4-29-21-12-8-5-9-17(21)13-24-23(28)25-20-15-26(14-16(2)3)22(27)19-11-7-6-10-18(19)20/h5-12,15-16H,4,13-14H2,1-3H3,(H2,24,25,28)

InChI Key

YVHACCQIRDFLOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14928922

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.782

Distribution Coefficient, logD

3.769

Water Solubility, LogSw

-3.95

Polar Surface Area

58.271

Acid Dissociation Constant (pKa)

8.92

Base Dissociation Constant (pKb)

-1.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

E942-0168 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E942-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E942-0168?
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What is the minimum amount of E942-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E942-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E942-0168
  • 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 E942-0168 available by request