E942-0327 Screening compound: N1'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]-[1,4'-bipiperidine]-1',4'-dicarboxamide

E942-0327 Screening compound: N1'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]-[1,4'-bipiperidine]-1',4'-dicarboxamide
E942-0327 Screening compound: N1'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]-[1,4'-bipiperidine]-1',4'-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E942-0327
N1'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]-[1,4'-bipiperidine]-1',4'-dicarboxamide

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

E942-0327

Molecular Formula

C25H35N5O3 (C25 H35 N5 O3)

Compound Name

N1'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]-[1,4'-bipiperidine]-1',4'-dicarboxamide

IUPAC name

N1'-[2-(2-methylpropyl)-1-oxo-12-dihydroisoquinolin-4-yl]-[14'-bipiperidine]-1'4'-dicarboxamide

SMILES

CC(C)CN(C=C(c1c2cccc1)NC(N(CC1)CCC1(C(N)=O)N1CCCCC1)=O)C2=O

InChI

InChI=1S/C25H35N5O3/c1-18(2)16-29-17-21(19-8-4-5-9-20(19)22(29)31)27-24(33)28-14-10-25(11-15-28,23(26)32)30-12-6-3-7-13-30/h4-5,8-9,17-18H,3,6-7,10-16H2,1-2H3,(H2,26,32)(H,27,33)

InChI Key

XTZKVDZDWIFYNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14929013

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.489

Distribution Coefficient, logD

1.647

Water Solubility, LogSw

-3.05

Polar Surface Area

80.040

Acid Dissociation Constant (pKa)

8.89

Base Dissociation Constant (pKb)

8.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.00

E942-0327 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E942-0327 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E942-0327?
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What is the minimum amount of E942-0327 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E942-0327
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E942-0327
  • 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 E942-0327 available by request