P801-0095 Screening compound: 2-(3-phenylpiperazin-1-yl)-N-[(thiophen-2-yl)methyl]pyridine-3-carboxamide

P801-0095 Screening compound: 2-(3-phenylpiperazin-1-yl)-N-[(thiophen-2-yl)methyl]pyridine-3-carboxamide
P801-0095 Screening compound: 2-(3-phenylpiperazin-1-yl)-N-[(thiophen-2-yl)methyl]pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P801-0095
2-(3-phenylpiperazin-1-yl)-N-[(thiophen-2-yl)methyl]pyridine-3-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

P801-0095

Molecular Formula

C21H22N4OS (C21 H22 N4 OS)

Compound Name

2-(3-phenylpiperazin-1-yl)-N-[(thiophen-2-yl)methyl]pyridine-3-carboxamide

IUPAC name

2-(3-phenylpiperazin-1-yl)-N-[(thiophen-2-yl)methyl]pyridine-3-carboxamide

SMILES

O=C(c1c(N2CC(c3ccccc3)NCC2)nccc1)NCc1cccs1

InChI

InChI=1S/C21H22N4OS/c26-21(24-14-17-8-5-13-27-17)18-9-4-10-23-20(18)25-12-11-22-19(15-25)16-6-2-1-3-7-16/h1-10,13,19,22H,11-12,14-15H2,(H,24,26)/t19-/m0/s1

InChI Key

VRFXUYHXHCJFLI-IBGZPJMESA-N

MDL Number (MFCD)

MFCD29025143

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.834

Distribution Coefficient, logD

2.169

Water Solubility, LogSw

-3.58

Polar Surface Area

49.878

Acid Dissociation Constant (pKa)

11.87

Base Dissociation Constant (pKb)

7.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

P801-0095 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with P801-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P801-0095?
Check Price and Availability of P801-0095, 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 P801-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P801-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P801-0095
  • 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 P801-0095 available by request