S057-0034 Screening compound: 2-methyl-5-[3-(3-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]pyridine

S057-0034 Screening compound: 2-methyl-5-[3-(3-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]pyridine
S057-0034 Screening compound: 2-methyl-5-[3-(3-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S057-0034
2-methyl-5-[3-(3-phenyl-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

S057-0034

Molecular Formula

C21H22N4O (C21 H22 N4 O)

Compound Name

2-methyl-5-[3-(3-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]pyridine

IUPAC name

2-methyl-5-[3-(3-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]pyridine

SMILES

Cc(cc1)ncc1C(N(CCC1)CC1c1cc(-c2ccccc2)n[nH]1)=O

InChI

InChI=1S/C21H22N4O/c1-15-9-10-17(13-22-15)21(26)25-11-5-8-18(14-25)20-12-19(23-24-20)16-6-3-2-4-7-16/h2-4,6-7,9-10,12-13,18H,5,8,11,14H2,1H3,(H,23,24)/t18-/m0/s1

InChI Key

JGHCIMSAMAHMEG-SFHVURJKSA-N

MDL Number (MFCD)

MFCD27617302

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.43

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

3.347

Distribution Coefficient, logD

3.347

Water Solubility, LogSw

-3.32

Polar Surface Area

47.982

Acid Dissociation Constant (pKa)

13.91

Base Dissociation Constant (pKb)

4.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

S057-0034 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S057-0034 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S057-0034?
Check Price and Availability of S057-0034, 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 S057-0034 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S057-0034
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S057-0034
  • 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 S057-0034 available by request