E942-0054 Screening compound: 3-butyl-1-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea

E942-0054 Screening compound: 3-butyl-1-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
E942-0054 Screening compound: 3-butyl-1-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E942-0054
3-butyl-1-[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

E942-0054

Molecular Formula

C18H25N3O2 (C18 H25 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C18H25N3O2/c1-4-5-10-19-18(23)20-16-12-21(11-13(2)3)17(22)15-9-7-6-8-14(15)16/h6-9,12-13H,4-5,10-11H2,1-3H3,(H2,19,20,23)

InChI Key

WFYVDXDSCGZPKO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14928854

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.227

Distribution Coefficient, logD

3.205

Water Solubility, LogSw

-3.68

Polar Surface Area

51.173

Acid Dissociation Constant (pKa)

8.68

Base Dissociation Constant (pKb)

1.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

References: we are preparing a list of scientific research reports with E942-0054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E942-0054?
Check Price and Availability of E942-0054, 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 E942-0054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E942-0054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E942-0054
  • 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 E942-0054 available by request