E942-0232 Screening compound: ethyl 4-({[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]carbamoyl}amino)benzoate

E942-0232 Screening compound: ethyl 4-({[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]carbamoyl}amino)benzoate
E942-0232 Screening compound: ethyl 4-({[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]carbamoyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E942-0232
ethyl 4-({[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

E942-0232

Molecular Formula

C23H25N3O4 (C23 H25 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c(cc1)ccc1NC(NC(c1c2cccc1)=CN(CC(C)C)C2=O)=O)=O

InChI

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

InChI Key

JVEXZOFWPIGTOO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14928956

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

4.557

Distribution Coefficient, logD

4.524

Water Solubility, LogSw

-4.26

Polar Surface Area

70.492

Acid Dissociation Constant (pKa)

8.49

Base Dissociation Constant (pKb)

-0.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

E942-0232 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with E942-0232 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E942-0232?
Check Price and Availability of E942-0232, 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 E942-0232 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E942-0232
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E942-0232
  • 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 E942-0232 available by request