P801-0554 Screening compound: 3-{4-[6-(3-phenylpiperazin-1-yl)pyridine-3-carbonyl]piperazin-1-yl}propanenitrile

P801-0554 Screening compound: 3-{4-[6-(3-phenylpiperazin-1-yl)pyridine-3-carbonyl]piperazin-1-yl}propanenitrile
P801-0554 Screening compound: 3-{4-[6-(3-phenylpiperazin-1-yl)pyridine-3-carbonyl]piperazin-1-yl}propanenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound P801-0554
3-{4-[6-(3-phenylpiperazin-1-yl)pyridine-3-carbonyl]piperazin-1-yl}propanenitrile

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

P801-0554

Molecular Formula

C23H28N6O (C23 H28 N6 O)

Compound Name

3-{4-[6-(3-phenylpiperazin-1-yl)pyridine-3-carbonyl]piperazin-1-yl}propanenitrile

IUPAC name

3-{4-[6-(3-phenylpiperazin-1-yl)pyridine-3-carbonyl]piperazin-1-yl}propanenitrile

SMILES

N#CCCN(CC1)CCN1C(c(cc1)cnc1N1CC(c2ccccc2)NCC1)=O

InChI

InChI=1S/C23H28N6O/c24-9-4-11-27-13-15-28(16-14-27)23(30)20-7-8-22(26-17-20)29-12-10-25-21(18-29)19-5-2-1-3-6-19/h1-3,5-8,17,21,25H,4,10-16,18H2/t21-/m0/s1

InChI Key

ZJDKQJOCIHZPGC-NRFANRHFSA-N

MDL Number (MFCD)

MFCD29025325

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.783

Distribution Coefficient, logD

0.235

Water Solubility, LogSw

-1.67

Polar Surface Area

61.997

Acid Dissociation Constant (pKa)

22.02

Base Dissociation Constant (pKb)

7.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.50

P801-0554 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P801-0554 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P801-0554?
Check Price and Availability of P801-0554, 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 P801-0554 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P801-0554
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P801-0554
  • 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 P801-0554 available by request