E942-0048 Screening compound: 1-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]-3-[(oxolan-2-yl)methyl]urea

E942-0048 Screening compound: 1-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]-3-[(oxolan-2-yl)methyl]urea
E942-0048 Screening compound: 1-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]-3-[(oxolan-2-yl)methyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E942-0048
1-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]-3-[(oxolan-2-yl)methyl]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

E942-0048

Molecular Formula

C19H25N3O3 (C19 H25 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CN(C=C(c1c2cccc1)NC(NCC1OCCC1)=O)C2=O

InChI

InChI=1S/C19H25N3O3/c1-13(2)11-22-12-17(15-7-3-4-8-16(15)18(22)23)21-19(24)20-10-14-6-5-9-25-14/h3-4,7-8,12-14H,5-6,9-11H2,1-2H3,(H2,20,21,24)/t14-/m1/s1

InChI Key

SPLTTZPDSRTUBG-CQSZACIVSA-N

MDL Number (MFCD)

MFCD14928849

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.016

Distribution Coefficient, logD

1.993

Water Solubility, LogSw

-2.75

Polar Surface Area

59.715

Acid Dissociation Constant (pKa)

8.68

Base Dissociation Constant (pKb)

2.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.40

E942-0048 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with E942-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E942-0048?
Check Price and Availability of E942-0048, 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 E942-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E942-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E942-0048
  • 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 E942-0048 available by request