E942-0351 Screening compound: 1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-3-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea

E942-0351 Screening compound: 1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-3-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
E942-0351 Screening compound: 1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-3-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E942-0351
1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-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

E942-0351

Molecular Formula

C23H34N4O2 (C23 H34 N4 O2)

Compound Name

1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-3-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea

IUPAC name

1-[2-(26-dimethylpiperidin-1-yl)ethyl]-3-[2-(2-methylpropyl)-1-oxo-12-dihydroisoquinolin-4-yl]urea

SMILES

CC(C)CN(C=C(c1c2cccc1)NC(NCCN1C(C)CCCC1C)=O)C2=O

InChI

InChI=1S/C23H34N4O2/c1-16(2)14-26-15-21(19-10-5-6-11-20(19)22(26)28)25-23(29)24-12-13-27-17(3)8-7-9-18(27)4/h5-6,10-11,15-18H,7-9,12-14H2,1-4H3,(H2,24,25,29)

InChI Key

PVJLPGTYRRBNBC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14929027

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.55

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

3.158

Distribution Coefficient, logD

-0.373

Water Solubility, LogSw

-3.58

Polar Surface Area

53.439

Acid Dissociation Constant (pKa)

8.68

Base Dissociation Constant (pKb)

9.96

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

56.50

E942-0351 in Drug Discovery

Included in Screening Libraries

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with E942-0351 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E942-0351?
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What is the minimum amount of E942-0351 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E942-0351
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E942-0351
  • 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 E942-0351 available by request