P866-0017 Screening compound: N-(2,5-dimethylphenyl)-4-(3-phenyl-1H-pyrazol-5-yl)piperazine-1-carboxamide

P866-0017 Screening compound: N-(2,5-dimethylphenyl)-4-(3-phenyl-1H-pyrazol-5-yl)piperazine-1-carboxamide
P866-0017 Screening compound: N-(2,5-dimethylphenyl)-4-(3-phenyl-1H-pyrazol-5-yl)piperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P866-0017
N-(2,5-dimethylphenyl)-4-(3-phenyl-1H-pyrazol-5-yl)piperazine-1-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

P866-0017

Molecular Formula

C22H25N5O (C22 H25 N5 O)

Compound Name

N-(2,5-dimethylphenyl)-4-(3-phenyl-1H-pyrazol-5-yl)piperazine-1-carboxamide

IUPAC name

N-(25-dimethylphenyl)-4-(3-phenyl-1H-pyrazol-5-yl)piperazine-1-carboxamide

SMILES

Cc1cc(NC(N(CC2)CCN2c2cc(-c3ccccc3)n[nH]2)=O)c(C)cc1

InChI

InChI=1S/C22H25N5O/c1-16-8-9-17(2)19(14-16)23-22(28)27-12-10-26(11-13-27)21-15-20(24-25-21)18-6-4-3-5-7-18/h3-9,14-15H,10-13H2,1-2H3,(H,23,28)(H,24,25)

InChI Key

VOPJNXXDGNZEKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27615745

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.47

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.068

Distribution Coefficient, logD

4.068

Water Solubility, LogSw

-3.98

Polar Surface Area

50.223

Acid Dissociation Constant (pKa)

13.97

Base Dissociation Constant (pKb)

-1.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

P866-0017 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 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

References: we are preparing a list of scientific research reports with P866-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P866-0017?
Check Price and Availability of P866-0017, 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 P866-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P866-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P866-0017
  • 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 P866-0017 available by request