P801-0816 Screening compound: 6-(3-phenylpiperazin-1-yl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]pyridine-2-carboxamide

P801-0816 Screening compound: 6-(3-phenylpiperazin-1-yl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]pyridine-2-carboxamide
P801-0816 Screening compound: 6-(3-phenylpiperazin-1-yl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]pyridine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P801-0816
6-(3-phenylpiperazin-1-yl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]pyridine-2-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

P801-0816

Molecular Formula

C23H28N6O (C23 H28 N6 O)

Compound Name

6-(3-phenylpiperazin-1-yl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]pyridine-2-carboxamide

IUPAC name

6-(3-phenylpiperazin-1-yl)-N-[(135-trimethyl-1H-pyrazol-4-yl)methyl]pyridine-2-carboxamide

SMILES

Cc1c(CNC(c2nc(N3CC(c4ccccc4)NCC3)ccc2)=O)c(C)nn1C

InChI

InChI=1S/C23H28N6O/c1-16-19(17(2)28(3)27-16)14-25-23(30)20-10-7-11-22(26-20)29-13-12-24-21(15-29)18-8-5-4-6-9-18/h4-11,21,24H,12-15H2,1-3H3,(H,25,30)/t21-/m0/s1

InChI Key

HVXAPAMWBXIHAF-NRFANRHFSA-N

MDL Number (MFCD)

MFCD29025689

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.061

Distribution Coefficient, logD

1.513

Water Solubility, LogSw

-2.60

Polar Surface Area

62.797

Acid Dissociation Constant (pKa)

13.57

Base Dissociation Constant (pKb)

7.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

P801-0816 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P801-0816 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P801-0816?
Check Price and Availability of P801-0816, 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 P801-0816 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P801-0816
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P801-0816
  • 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 P801-0816 available by request