P801-0419 Screening compound: N~4~-[2-(4-methylpiperazino)ethyl]-2-(3-phenylpiperazino)isonicotinamide

P801-0419 Screening compound: N~4~-[2-(4-methylpiperazino)ethyl]-2-(3-phenylpiperazino)isonicotinamide
P801-0419 Screening compound: N~4~-[2-(4-methylpiperazino)ethyl]-2-(3-phenylpiperazino)isonicotinamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P801-0419
N~4~-[2-(4-methylpiperazino)ethyl]-2-(3-phenylpiperazino)isonicotinamide

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

P801-0419

Molecular Formula

C23H32N6O (C23 H32 N6 O)

Compound Name

N~4~-[2-(4-methylpiperazino)ethyl]-2-(3-phenylpiperazino)isonicotinamide

IUPAC name

N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(3-phenylpiperazin-1-yl)pyridine-4-carboxamide

SMILES

CN1CCN(CCNC(c2cc(N3CC(c4ccccc4)NCC3)ncc2)=O)CC1

InChI

InChI=1S/C23H32N6O/c1-27-13-15-28(16-14-27)11-9-26-23(30)20-7-8-25-22(17-20)29-12-10-24-21(18-29)19-5-3-2-4-6-19/h2-8,17,21,24H,9-16,18H2,1H3,(H,26,30)/t21-/m0/s1

InChI Key

SDFKGVWICVOAEQ-NRFANRHFSA-N

MDL Number (MFCD)

MFCD29030922

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.888

Distribution Coefficient, logD

0.221

Water Solubility, LogSw

-1.80

Polar Surface Area

55.690

Acid Dissociation Constant (pKa)

13.28

Base Dissociation Constant (pKb)

7.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.83

P801-0419 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P801-0419 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P801-0419?
Check Price and Availability of P801-0419, 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 P801-0419 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P801-0419
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P801-0419
  • 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 P801-0419 available by request