E942-0319 Screening compound: methyl 4-({[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]carbamoyl}amino)benzoate

E942-0319 Screening compound: methyl 4-({[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]carbamoyl}amino)benzoate
E942-0319 Screening compound: methyl 4-({[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]carbamoyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E942-0319
methyl 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

E942-0319

Molecular Formula

C22H23N3O4 (C22 H23 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CN(C=C(c1c2cccc1)NC(Nc(cc1)ccc1C(OC)=O)=O)C2=O

InChI

InChI=1S/C22H23N3O4/c1-14(2)12-25-13-19(17-6-4-5-7-18(17)20(25)26)24-22(28)23-16-10-8-15(9-11-16)21(27)29-3/h4-11,13-14H,12H2,1-3H3,(H2,23,24,28)

InChI Key

BQRZWVUEMAWSQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14929005

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.047

Distribution Coefficient, logD

4.013

Water Solubility, LogSw

-4.30

Polar Surface Area

70.912

Acid Dissociation Constant (pKa)

8.49

Base Dissociation Constant (pKb)

-0.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

E942-0319 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 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 E942-0319 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E942-0319?
Check Price and Availability of E942-0319, 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 E942-0319 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E942-0319
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E942-0319
  • 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 E942-0319 available by request