E942-0035 Screening compound: 4-(2-fluorophenyl)-N-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]piperazine-1-carboxamide

E942-0035 Screening compound: 4-(2-fluorophenyl)-N-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]piperazine-1-carboxamide
E942-0035 Screening compound: 4-(2-fluorophenyl)-N-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]piperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E942-0035
4-(2-fluorophenyl)-N-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]piperazine-1-carboxamide

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

E942-0035

Molecular Formula

C24H27FN4O2 (C24 H27 FN4 O2)

Compound Name

4-(2-fluorophenyl)-N-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]piperazine-1-carboxamide

IUPAC name

4-(2-fluorophenyl)-N-[2-(2-methylpropyl)-1-oxo-12-dihydroisoquinolin-4-yl]piperazine-1-carboxamide

SMILES

CC(C)CN(C=C(c1c2cccc1)NC(N(CC1)CCN1c(cccc1)c1F)=O)C2=O

InChI

InChI=1S/C24H27FN4O2/c1-17(2)15-29-16-21(18-7-3-4-8-19(18)23(29)30)26-24(31)28-13-11-27(12-14-28)22-10-6-5-9-20(22)25/h3-10,16-17H,11-15H2,1-2H3,(H,26,31)

InChI Key

SPJXTKPARQSLIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14928838

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.812

Distribution Coefficient, logD

3.798

Water Solubility, LogSw

-4.04

Polar Surface Area

45.864

Acid Dissociation Constant (pKa)

8.89

Base Dissociation Constant (pKb)

2.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

E942-0035 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with E942-0035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E942-0035?
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What is the minimum amount of E942-0035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E942-0035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E942-0035
  • 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 E942-0035 available by request