E456-1665 Screening compound: N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl}-2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide

E456-1665 Screening compound: N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl}-2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
E456-1665 Screening compound: N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl}-2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E456-1665
N-{3-[4-(5-chloro-2-methylphenyl)piperazin-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

E456-1665

Molecular Formula

C31H33ClN4O3 (C31 H33 ClN4 O3)

Compound Name

N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl}-2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide

IUPAC name

N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl}-2-(4-methoxyphenyl)-1-oxo-12-dihydroisoquinoline-4-carboxamide

SMILES

Cc(ccc(Cl)c1)c1N1CCN(CCCNC(C(c2c3cccc2)=CN(c(cc2)ccc2OC)C3=O)=O)CC1

InChI

InChI=1S/C31H33ClN4O3/c1-22-8-9-23(32)20-29(22)35-18-16-34(17-19-35)15-5-14-33-30(37)28-21-36(24-10-12-25(39-2)13-11-24)31(38)27-7-4-3-6-26(27)28/h3-4,6-13,20-21H,5,14-19H2,1-2H3,(H,33,37)

InChI Key

MAEALHDNDWYJTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14853986

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

545.08

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.302

Distribution Coefficient, logD

3.156

Water Solubility, LogSw

-4.46

Polar Surface Area

54.495

Acid Dissociation Constant (pKa)

13.85

Base Dissociation Constant (pKb)

8.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.00

E456-1665 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E456-1665 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E456-1665?
Check Price and Availability of E456-1665, 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 E456-1665 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E456-1665
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E456-1665
  • 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 E456-1665 available by request