E942-0326 Screening compound: 1-benzyl-3-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea

E942-0326 Screening compound: 1-benzyl-3-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
E942-0326 Screening compound: 1-benzyl-3-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E942-0326
1-benzyl-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

E942-0326

Molecular Formula

C21H23N3O2 (C21 H23 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CN(C=C(c1c2cccc1)NC(NCc1ccccc1)=O)C2=O

InChI

InChI=1S/C21H23N3O2/c1-15(2)13-24-14-19(17-10-6-7-11-18(17)20(24)25)23-21(26)22-12-16-8-4-3-5-9-16/h3-11,14-15H,12-13H2,1-2H3,(H2,22,23,26)

InChI Key

BWWILWXRVDSNBO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14929012

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.172

Distribution Coefficient, logD

3.159

Water Solubility, LogSw

-3.69

Polar Surface Area

51.060

Acid Dissociation Constant (pKa)

8.92

Base Dissociation Constant (pKb)

0.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

E942-0326 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with E942-0326 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E942-0326?
Check Price and Availability of E942-0326, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E942-0326 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E942-0326
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E942-0326
  • 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 E942-0326 available by request