P801-0432 Screening compound: 3,4-dihydro-2(1H)-isoquinolinyl[2-(3-phenylpiperazino)-4-pyridyl]methanone

P801-0432 Screening compound: 3,4-dihydro-2(1H)-isoquinolinyl[2-(3-phenylpiperazino)-4-pyridyl]methanone
P801-0432 Screening compound: 3,4-dihydro-2(1H)-isoquinolinyl[2-(3-phenylpiperazino)-4-pyridyl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound P801-0432
3,4-dihydro-2(1H)-isoquinolinyl[2-(3-phenylpiperazino)-4-pyridyl]methanone

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

P801-0432

Molecular Formula

C25H26N4O (C25 H26 N4 O)

Compound Name

3,4-dihydro-2(1H)-isoquinolinyl[2-(3-phenylpiperazino)-4-pyridyl]methanone

IUPAC name

n/a

SMILES

O=C(c1cc(N2CC(c3ccccc3)NCC2)ncc1)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C25H26N4O/c30-25(29-14-11-19-6-4-5-9-22(19)17-29)21-10-12-27-24(16-21)28-15-13-26-23(18-28)20-7-2-1-3-8-20/h1-10,12,16,23,26H,11,13-15,17-18H2/t23-/m0/s1

InChI Key

VZMNGERVQGTTJS-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD29025309

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.103

Distribution Coefficient, logD

2.555

Water Solubility, LogSw

-3.30

Polar Surface Area

40.287

Acid Dissociation Constant (pKa)

23.51

Base Dissociation Constant (pKb)

7.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

P801-0432 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 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 P801-0432 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P801-0432?
Check Price and Availability of P801-0432, 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 P801-0432 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P801-0432
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P801-0432
  • 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 P801-0432 available by request