S722-0876 Screening compound: 4-{[4-({1-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl}methyl)phenyl]methyl}morpholine

S722-0876 Screening compound: 4-{[4-({1-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl}methyl)phenyl]methyl}morpholine
S722-0876 Screening compound: 4-{[4-({1-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl}methyl)phenyl]methyl}morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound S722-0876
4-{[4-({1-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl}methyl)phenyl]methyl}morpholine

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

S722-0876

Molecular Formula

C22H32N4O3S (C22 H32 N4 O3 S)

Compound Name

4-{[4-({1-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl}methyl)phenyl]methyl}morpholine

IUPAC name

4-{[4-({1-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl}methyl)phenyl]methyl}morpholine

SMILES

CCn1ncc(S(N2CCC(Cc3ccc(CN4CCOCC4)cc3)CC2)(=O)=O)c1

InChI

InChI=1S/C22H32N4O3S/c1-2-25-18-22(16-23-25)30(27,28)26-9-7-20(8-10-26)15-19-3-5-21(6-4-19)17-24-11-13-29-14-12-24/h3-6,16,18,20H,2,7-15,17H2,1H3

InChI Key

MOJIAFXMKJNTSK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32226561

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.199

Distribution Coefficient, logD

2.007

Water Solubility, LogSw

-2.36

Polar Surface Area

57.821

Acid Dissociation Constant (pKa)

25.46

Base Dissociation Constant (pKb)

7.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

59.09

S722-0876 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S722-0876 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S722-0876?
Check Price and Availability of S722-0876, 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 S722-0876 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S722-0876
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S722-0876
  • 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 S722-0876 available by request