E942-0078 Screening compound: ethyl 2-({[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]carbamoyl}amino)benzoate

E942-0078 Screening compound: ethyl 2-({[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]carbamoyl}amino)benzoate
E942-0078 Screening compound: ethyl 2-({[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]carbamoyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E942-0078
ethyl 2-({[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]carbamoyl}amino)benzoate

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

E942-0078

Molecular Formula

C23H25N3O4 (C23 H25 N3 O4)

Compound Name

ethyl 2-({[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]carbamoyl}amino)benzoate

IUPAC name

ethyl 2-({[2-(2-methylpropyl)-1-oxo-12-dihydroisoquinolin-4-yl]carbamoyl}amino)benzoate

SMILES

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

InChI

InChI=1S/C23H25N3O4/c1-4-30-22(28)18-11-7-8-12-19(18)24-23(29)25-20-14-26(13-15(2)3)21(27)17-10-6-5-9-16(17)20/h5-12,14-15H,4,13H2,1-3H3,(H2,24,25,29)

InChI Key

OJNBVHDFCHJRDO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14928870

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.225

Distribution Coefficient, logD

4.142

Water Solubility, LogSw

-4.13

Polar Surface Area

69.794

Acid Dissociation Constant (pKa)

8.08

Base Dissociation Constant (pKb)

-0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

E942-0078 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with E942-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E942-0078?
Check Price and Availability of E942-0078, 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 E942-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E942-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E942-0078
  • 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 E942-0078 available by request