P801-0873 Screening compound: [6-(3-phenylpiperazino)-2-pyridyl](piperidino)methanone

P801-0873 Screening compound: [6-(3-phenylpiperazino)-2-pyridyl](piperidino)methanone
P801-0873 Screening compound: [6-(3-phenylpiperazino)-2-pyridyl](piperidino)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound P801-0873
[6-(3-phenylpiperazino)-2-pyridyl](piperidino)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

P801-0873

Molecular Formula

C21H26N4O (C21 H26 N4 O)

Compound Name

[6-(3-phenylpiperazino)-2-pyridyl](piperidino)methanone

IUPAC name

3-phenyl-1-[6-(piperidine-1-carbonyl)pyridin-2-yl]piperazine

SMILES

O=C(c1nc(N2CC(c3ccccc3)NCC2)ccc1)N1CCCCC1

InChI

InChI=1S/C21H26N4O/c26-21(24-13-5-2-6-14-24)18-10-7-11-20(23-18)25-15-12-22-19(16-25)17-8-3-1-4-9-17/h1,3-4,7-11,19,22H,2,5-6,12-16H2/t19-/m0/s1

InChI Key

NSZDSAHSEJYRPU-IBGZPJMESA-N

MDL Number (MFCD)

MFCD27615317

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.46

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

2.831

Distribution Coefficient, logD

2.283

Water Solubility, LogSw

-3.02

Polar Surface Area

40.193

Acid Dissociation Constant (pKa)

23.51

Base Dissociation Constant (pKb)

7.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.86

P801-0873 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P801-0873 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P801-0873?
Check Price and Availability of P801-0873, 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 P801-0873 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P801-0873
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P801-0873
  • 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 P801-0873 available by request