S058-0061 Screening compound: (1-methyl-1H-pyrazol-5-yl)[4-(3-phenyl-1H-pyrazol-5-yl)piperidino]methanone

S058-0061 Screening compound: (1-methyl-1H-pyrazol-5-yl)[4-(3-phenyl-1H-pyrazol-5-yl)piperidino]methanone
S058-0061 Screening compound: (1-methyl-1H-pyrazol-5-yl)[4-(3-phenyl-1H-pyrazol-5-yl)piperidino]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S058-0061
(1-methyl-1H-pyrazol-5-yl)[4-(3-phenyl-1H-pyrazol-5-yl)piperidino]methanone

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

S058-0061

Molecular Formula

C19H21N5O (C19 H21 N5 O)

Compound Name

(1-methyl-1H-pyrazol-5-yl)[4-(3-phenyl-1H-pyrazol-5-yl)piperidino]methanone

IUPAC name

n/a

SMILES

Cn1nccc1C(N(CC1)CCC1c1cc(-c2ccccc2)n[nH]1)=O

InChI

InChI=1S/C19H21N5O/c1-23-18(7-10-20-23)19(25)24-11-8-15(9-12-24)17-13-16(21-22-17)14-5-3-2-4-6-14/h2-7,10,13,15H,8-9,11-12H2,1H3,(H,21,22)

InChI Key

FMTKUOPLTFRFSY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27617333

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.518

Distribution Coefficient, logD

2.518

Water Solubility, LogSw

-2.83

Polar Surface Area

52.755

Acid Dissociation Constant (pKa)

13.91

Base Dissociation Constant (pKb)

2.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

S058-0061 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S058-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S058-0061?
Check Price and Availability of S058-0061, 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 S058-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S058-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S058-0061
  • 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 S058-0061 available by request