S058-0168 Screening compound: 3-{4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl}pyridine

S058-0168 Screening compound: 3-{4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl}pyridine
S058-0168 Screening compound: 3-{4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl}pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S058-0168
3-{4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl}pyridine

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

S058-0168

Molecular Formula

C20H19FN4O (C20 H19 FN4 O)

Compound Name

3-{4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl}pyridine

IUPAC name

3-{4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl}pyridine

SMILES

O=C(c1cnccc1)N(CC1)CCC1c1cc(-c(cc2)ccc2F)n[nH]1

InChI

InChI=1S/C20H19FN4O/c21-17-5-3-14(4-6-17)18-12-19(24-23-18)15-7-10-25(11-8-15)20(26)16-2-1-9-22-13-16/h1-6,9,12-13,15H,7-8,10-11H2,(H,23,24)

InChI Key

FUIFMKMICGPFPO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27617345

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.809

Distribution Coefficient, logD

2.809

Water Solubility, LogSw

-3.10

Polar Surface Area

48.623

Acid Dissociation Constant (pKa)

13.91

Base Dissociation Constant (pKb)

3.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

S058-0168 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S058-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S058-0168?
Check Price and Availability of S058-0168, 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 S058-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S058-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S058-0168
  • 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 S058-0168 available by request