P805-0225 Screening compound: 3-chloro-4-fluoro-N-{1-[3-(pyridin-3-yl)-1H-pyrazol-5-yl]piperidin-4-yl}benzamide

P805-0225 Screening compound: 3-chloro-4-fluoro-N-{1-[3-(pyridin-3-yl)-1H-pyrazol-5-yl]piperidin-4-yl}benzamide
P805-0225 Screening compound: 3-chloro-4-fluoro-N-{1-[3-(pyridin-3-yl)-1H-pyrazol-5-yl]piperidin-4-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P805-0225
3-chloro-4-fluoro-N-{1-[3-(pyridin-3-yl)-1H-pyrazol-5-yl]piperidin-4-yl}benzamide

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

P805-0225

Molecular Formula

C20H19ClFN5O (C20 H19 ClFN5 O)

Compound Name

3-chloro-4-fluoro-N-{1-[3-(pyridin-3-yl)-1H-pyrazol-5-yl]piperidin-4-yl}benzamide

IUPAC name

3-chloro-4-fluoro-N-{1-[3-(pyridin-3-yl)-1H-pyrazol-5-yl]piperidin-4-yl}benzamide

SMILES

O=C(c(cc1)cc(Cl)c1F)NC(CC1)CCN1c1cc(-c2cnccc2)n[nH]1

InChI

InChI=1S/C20H19ClFN5O/c21-16-10-13(3-4-17(16)22)20(28)24-15-5-8-27(9-6-15)19-11-18(25-26-19)14-2-1-7-23-12-14/h1-4,7,10-12,15H,5-6,8-9H2,(H,24,28)(H,25,26)

InChI Key

ZLIGFEAFNDUGTN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27615367

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.86

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.869

Distribution Coefficient, logD

2.861

Water Solubility, LogSw

-3.63

Polar Surface Area

59.108

Acid Dissociation Constant (pKa)

12.71

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

P805-0225 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

SmartTM Library (51161 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 P805-0225 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P805-0225?
Check Price and Availability of P805-0225, 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 P805-0225 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P805-0225
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P805-0225
  • 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 P805-0225 available by request