P807-0091 Screening compound: 3-fluoro-N-({1-[3-(pyridin-4-yl)-1H-pyrazol-5-yl]piperidin-4-yl}methyl)benzamide

P807-0091 Screening compound: 3-fluoro-N-({1-[3-(pyridin-4-yl)-1H-pyrazol-5-yl]piperidin-4-yl}methyl)benzamide
P807-0091 Screening compound: 3-fluoro-N-({1-[3-(pyridin-4-yl)-1H-pyrazol-5-yl]piperidin-4-yl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P807-0091
3-fluoro-N-({1-[3-(pyridin-4-yl)-1H-pyrazol-5-yl]piperidin-4-yl}methyl)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

P807-0091

Molecular Formula

C21H22FN5O (C21 H22 FN5 O)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1cccc(F)c1)NCC(CC1)CCN1c1cc(-c2ccncc2)n[nH]1

InChI

InChI=1S/C21H22FN5O/c22-18-3-1-2-17(12-18)21(28)24-14-15-6-10-27(11-7-15)20-13-19(25-26-20)16-4-8-23-9-5-16/h1-5,8-9,12-13,15H,6-7,10-11,14H2,(H,24,28)(H,25,26)

InChI Key

RXNFJBRMNOHIRI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27615407

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.068

Distribution Coefficient, logD

3.067

Water Solubility, LogSw

-3.12

Polar Surface Area

59.486

Acid Dissociation Constant (pKa)

12.39

Base Dissociation Constant (pKb)

4.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

P807-0091 in Drug Discovery

Included in Screening Libraries

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

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with P807-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P807-0091?
Check Price and Availability of P807-0091, 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 P807-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P807-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P807-0091
  • 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 P807-0091 available by request