P806-0841 Screening compound: N-{1-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-3-yl}-1H-1,3-benzodiazole-5-carboxamide

P806-0841 Screening compound: N-{1-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-3-yl}-1H-1,3-benzodiazole-5-carboxamide
P806-0841 Screening compound: N-{1-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-3-yl}-1H-1,3-benzodiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P806-0841
N-{1-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-3-yl}-1H-1,3-benzodiazole-5-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

P806-0841

Molecular Formula

C22H21FN6O (C22 H21 FN6 O)

Compound Name

N-{1-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-3-yl}-1H-1,3-benzodiazole-5-carboxamide

IUPAC name

N-{1-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-3-yl}-1H-13-benzodiazole-5-carboxamide

SMILES

O=C(c(cc1)cc2c1[nH]cn2)NC(CCC1)CN1c1cc(-c(cc2)ccc2F)n[nH]1

InChI

InChI=1S/C22H21FN6O/c23-16-6-3-14(4-7-16)19-11-21(28-27-19)29-9-1-2-17(12-29)26-22(30)15-5-8-18-20(10-15)25-13-24-18/h3-8,10-11,13,17H,1-2,9,12H2,(H,24,25)(H,26,30)(H,27,28)/t17-/m0/s1

InChI Key

OWZMVDHSJHUDMC-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD29009658

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.059

Distribution Coefficient, logD

3.057

Water Solubility, LogSw

-3.35

Polar Surface Area

70.054

Acid Dissociation Constant (pKa)

11.42

Base Dissociation Constant (pKb)

4.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

P806-0841 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiviral Library (67538 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
  • Cyclic compounds
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with P806-0841 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P806-0841?
Check Price and Availability of P806-0841, 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 P806-0841 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P806-0841
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P806-0841
  • 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 P806-0841 available by request