P806-0696 Screening compound: N-{1-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-3-yl}-2,5-difluorobenzamide

P806-0696 Screening compound: N-{1-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-3-yl}-2,5-difluorobenzamide
P806-0696 Screening compound: N-{1-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-3-yl}-2,5-difluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P806-0696
N-{1-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-3-yl}-2,5-difluorobenzamide

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

P806-0696

Molecular Formula

C21H19ClF2N4O (C21 H19 ClF2 N4 O)

Compound Name

N-{1-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-3-yl}-2,5-difluorobenzamide

IUPAC name

N-{1-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-3-yl}-25-difluorobenzamide

SMILES

O=C(c(cc(cc1)F)c1F)NC(CCC1)CN1c1cc(-c(cc2)ccc2Cl)n[nH]1

InChI

InChI=1S/C21H19ClF2N4O/c22-14-5-3-13(4-6-14)19-11-20(27-26-19)28-9-1-2-16(12-28)25-21(29)17-10-15(23)7-8-18(17)24/h3-8,10-11,16H,1-2,9,12H2,(H,25,29)(H,26,27)/t16-/m0/s1

InChI Key

VNGXEMXKHHHCCY-INIZCTEOSA-N

MDL Number (MFCD)

MFCD29009663

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.86

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.006

Distribution Coefficient, logD

5.006

Water Solubility, LogSw

-5.23

Polar Surface Area

49.524

Acid Dissociation Constant (pKa)

11.73

Base Dissociation Constant (pKb)

0.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

P806-0696 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 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 P806-0696 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P806-0696?
Check Price and Availability of P806-0696, 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 P806-0696 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P806-0696
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P806-0696
  • 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 P806-0696 available by request