S057-0159 Screening compound: 2-{3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl}pyrazine

S057-0159 Screening compound: 2-{3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl}pyrazine
S057-0159 Screening compound: 2-{3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl}pyrazine alternative view

Chemical Structure Depiction of ChemDiv screening compound S057-0159
2-{3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl}pyrazine

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

S057-0159

Molecular Formula

C19H18FN5O (C19 H18 FN5 O)

Compound Name

2-{3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl}pyrazine

IUPAC name

2-{3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl}pyrazine

SMILES

O=C(c1nccnc1)N(CCC1)CC1c1cc(-c(cc2)ccc2F)n[nH]1

InChI

InChI=1S/C19H18FN5O/c20-15-5-3-13(4-6-15)16-10-17(24-23-16)14-2-1-9-25(12-14)19(26)18-11-21-7-8-22-18/h3-8,10-11,14H,1-2,9,12H2,(H,23,24)/t14-/m0/s1

InChI Key

LWFNHESHWUDVFX-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD27617314

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.578

Distribution Coefficient, logD

2.578

Water Solubility, LogSw

-2.64

Polar Surface Area

57.604

Acid Dissociation Constant (pKa)

13.91

Base Dissociation Constant (pKb)

1.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

S057-0159 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

NOTUM (Wnt signaling) Library (3881 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)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S057-0159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S057-0159?
Check Price and Availability of S057-0159, 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 S057-0159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S057-0159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S057-0159
  • 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 S057-0159 available by request