P806-0621 Screening compound: N-{1-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-3-yl}-3,4-diethoxybenzamide

P806-0621 Screening compound: N-{1-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-3-yl}-3,4-diethoxybenzamide
P806-0621 Screening compound: N-{1-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-3-yl}-3,4-diethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P806-0621
N-{1-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-3-yl}-3,4-diethoxybenzamide

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

P806-0621

Molecular Formula

C25H29ClN4O3 (C25 H29 ClN4 O3)

Compound Name

N-{1-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-3-yl}-3,4-diethoxybenzamide

IUPAC name

N-{1-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-3-yl}-34-diethoxybenzamide

SMILES

CCOc(ccc(C(NC(CCC1)CN1c1cc(-c(cc2)ccc2Cl)n[nH]1)=O)c1)c1OCC

InChI

InChI=1S/C25H29ClN4O3/c1-3-32-22-12-9-18(14-23(22)33-4-2)25(31)27-20-6-5-13-30(16-20)24-15-21(28-29-24)17-7-10-19(26)11-8-17/h7-12,14-15,20H,3-6,13,16H2,1-2H3,(H,27,31)(H,28,29)/t20-/m0/s1

InChI Key

QXKJVEXDEAFUQC-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD28997441

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.98

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.480

Distribution Coefficient, logD

4.480

Water Solubility, LogSw

-4.66

Polar Surface Area

63.945

Acid Dissociation Constant (pKa)

14.48

Base Dissociation Constant (pKb)

0.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

P806-0621 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

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

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with P806-0621 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P806-0621?
Check Price and Availability of P806-0621, 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 P806-0621 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P806-0621
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P806-0621
  • 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 P806-0621 available by request