P806-0458 Screening compound: N-[1-(3-phenyl-1H-pyrazol-5-yl)piperidin-3-yl]-2-(thiophen-2-yl)acetamide

P806-0458 Screening compound: N-[1-(3-phenyl-1H-pyrazol-5-yl)piperidin-3-yl]-2-(thiophen-2-yl)acetamide
P806-0458 Screening compound: N-[1-(3-phenyl-1H-pyrazol-5-yl)piperidin-3-yl]-2-(thiophen-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P806-0458
N-[1-(3-phenyl-1H-pyrazol-5-yl)piperidin-3-yl]-2-(thiophen-2-yl)acetamide

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

P806-0458

Molecular Formula

C20H22N4OS (C20 H22 N4 OS)

Compound Name

N-[1-(3-phenyl-1H-pyrazol-5-yl)piperidin-3-yl]-2-(thiophen-2-yl)acetamide

IUPAC name

N-[1-(3-phenyl-1H-pyrazol-5-yl)piperidin-3-yl]-2-(thiophen-2-yl)acetamide

SMILES

O=C(Cc1cccs1)NC(CCC1)CN1c1cc(-c2ccccc2)n[nH]1

InChI

InChI=1S/C20H22N4OS/c25-20(12-17-9-5-11-26-17)21-16-8-4-10-24(14-16)19-13-18(22-23-19)15-6-2-1-3-7-15/h1-3,5-7,9,11,13,16H,4,8,10,12,14H2,(H,21,25)(H,22,23)/t16-/m0/s1

InChI Key

YQFYXRSERLZLKW-INIZCTEOSA-N

MDL Number (MFCD)

MFCD28997396

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.49

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.033

Distribution Coefficient, logD

3.033

Water Solubility, LogSw

-3.37

Polar Surface Area

50.329

Acid Dissociation Constant (pKa)

14.84

Base Dissociation Constant (pKb)

0.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

P806-0458 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

GPCR Targeted Library (31838 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
Targets:
  • GPCR
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with P806-0458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P806-0458?
Check Price and Availability of P806-0458, 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 P806-0458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P806-0458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P806-0458
  • 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 P806-0458 available by request