S058-0093 Screening compound: 1-(CYCLOPROPYLSULFONYL)-4-(3-PHENYL-1H-PYRAZOL-5-YL)PIPERIDINE

S058-0093 Screening compound: 1-(CYCLOPROPYLSULFONYL)-4-(3-PHENYL-1H-PYRAZOL-5-YL)PIPERIDINE
S058-0093 Screening compound: 1-(CYCLOPROPYLSULFONYL)-4-(3-PHENYL-1H-PYRAZOL-5-YL)PIPERIDINE alternative view

Chemical Structure Depiction of ChemDiv screening compound S058-0093
1-(CYCLOPROPYLSULFONYL)-4-(3-PHENYL-1H-PYRAZOL-5-YL)PIPERIDINE

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

S058-0093

Molecular Formula

C17H21N3O2S (C17 H21 N3 O2 S)

Compound Name

1-(CYCLOPROPYLSULFONYL)-4-(3-PHENYL-1H-PYRAZOL-5-YL)PIPERIDINE

IUPAC name

1-(cyclopropanesulfonyl)-4-(3-phenyl-1H-pyrazol-5-yl)piperidine

SMILES

O=S(C1CC1)(N(CC1)CCC1c1cc(-c2ccccc2)n[nH]1)=O

InChI

InChI=1S/C17H21N3O2S/c21-23(22,15-6-7-15)20-10-8-14(9-11-20)17-12-16(18-19-17)13-4-2-1-3-5-13/h1-5,12,14-15H,6-11H2,(H,18,19)

InChI Key

CHKLQDGHXDDEPU-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.203

Distribution Coefficient, logD

3.203

Water Solubility, LogSw

-3.40

Polar Surface Area

54.691

Acid Dissociation Constant (pKa)

13.91

Base Dissociation Constant (pKb)

1.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.06

S058-0093 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

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

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

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S058-0093 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S058-0093?
Check Price and Availability of S058-0093, 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 S058-0093 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S058-0093
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S058-0093
  • 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 S058-0093 available by request