E456-1458 Screening compound: N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide

E456-1458 Screening compound: N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
E456-1458 Screening compound: N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E456-1458
N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-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

E456-1458

Molecular Formula

C27H33N3O3 (C27 H33 N3 O3)

Compound Name

N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide

IUPAC name

N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(4-methoxyphenyl)-1-oxo-12-dihydroisoquinoline-4-carboxamide

SMILES

CCC1N(CCCNC(C(c2c3cccc2)=CN(c(cc2)ccc2OC)C3=O)=O)CCCC1

InChI

InChI=1S/C27H33N3O3/c1-3-20-9-6-7-17-29(20)18-8-16-28-26(31)25-19-30(21-12-14-22(33-2)15-13-21)27(32)24-11-5-4-10-23(24)25/h4-5,10-15,19-20H,3,6-9,16-18H2,1-2H3,(H,28,31)/t20-/m0/s1

InChI Key

WXPHNGKOXRETEO-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD03016026

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.112

Distribution Coefficient, logD

0.245

Water Solubility, LogSw

-3.47

Polar Surface Area

51.347

Acid Dissociation Constant (pKa)

13.85

Base Dissociation Constant (pKb)

10.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.70

E456-1458 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with E456-1458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E456-1458?
Check Price and Availability of E456-1458, 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 E456-1458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E456-1458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E456-1458
  • 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 E456-1458 available by request