E942-0079 Screening compound: 1-(2-ethoxyphenyl)-3-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea

E942-0079 Screening compound: 1-(2-ethoxyphenyl)-3-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
E942-0079 Screening compound: 1-(2-ethoxyphenyl)-3-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E942-0079
1-(2-ethoxyphenyl)-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

E942-0079

Molecular Formula

C22H25N3O3 (C22 H25 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cccc1)c1NC(NC(c1c2cccc1)=CN(CC(C)C)C2=O)=O

InChI

InChI=1S/C22H25N3O3/c1-4-28-20-12-8-7-11-18(20)23-22(27)24-19-14-25(13-15(2)3)21(26)17-10-6-5-9-16(17)19/h5-12,14-15H,4,13H2,1-3H3,(H2,23,24,27)

InChI Key

KTJSPSMDVJQPNB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14928871

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.131

Distribution Coefficient, logD

4.123

Water Solubility, LogSw

-4.20

Polar Surface Area

56.251

Acid Dissociation Constant (pKa)

9.10

Base Dissociation Constant (pKb)

0.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

E942-0079 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with E942-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E942-0079?
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What is the minimum amount of E942-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E942-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E942-0079
  • 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 E942-0079 available by request