E942-0158 Screening compound: 4-(2,5-dimethylphenyl)-N-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]piperazine-1-carboxamide

E942-0158 Screening compound: 4-(2,5-dimethylphenyl)-N-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]piperazine-1-carboxamide
E942-0158 Screening compound: 4-(2,5-dimethylphenyl)-N-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]piperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E942-0158
4-(2,5-dimethylphenyl)-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

E942-0158

Molecular Formula

C26H32N4O2 (C26 H32 N4 O2)

Compound Name

4-(2,5-dimethylphenyl)-N-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]piperazine-1-carboxamide

IUPAC name

4-(25-dimethylphenyl)-N-[2-(2-methylpropyl)-1-oxo-12-dihydroisoquinolin-4-yl]piperazine-1-carboxamide

SMILES

CC(C)CN(C=C(c1c2cccc1)NC(N(CC1)CCN1c1c(C)ccc(C)c1)=O)C2=O

InChI

InChI=1S/C26H32N4O2/c1-18(2)16-30-17-23(21-7-5-6-8-22(21)25(30)31)27-26(32)29-13-11-28(12-14-29)24-15-19(3)9-10-20(24)4/h5-10,15,17-18H,11-14,16H2,1-4H3,(H,27,32)

InChI Key

WOOQDVOTTDGQBP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14928918

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.57

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

4.792

Distribution Coefficient, logD

4.777

Water Solubility, LogSw

-4.45

Polar Surface Area

45.864

Acid Dissociation Constant (pKa)

8.89

Base Dissociation Constant (pKb)

6.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

E942-0158 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 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 E942-0158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E942-0158?
Check Price and Availability of E942-0158, 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 E942-0158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E942-0158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E942-0158
  • 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 E942-0158 available by request