S722-0776 Screening compound: 4-{[4-({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)phenyl]methyl}morpholine

S722-0776 Screening compound: 4-{[4-({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)phenyl]methyl}morpholine
S722-0776 Screening compound: 4-{[4-({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)phenyl]methyl}morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound S722-0776
4-{[4-({1-[(3-methylphenyl)methyl]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

S722-0776

Molecular Formula

C25H34N2O (C25 H34 N2 O)

Compound Name

4-{[4-({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)phenyl]methyl}morpholine

IUPAC name

4-{[4-({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)phenyl]methyl}morpholine

SMILES

Cc1cccc(CN2CCC(Cc3ccc(CN4CCOCC4)cc3)CC2)c1

InChI

InChI=1S/C25H34N2O/c1-21-3-2-4-25(17-21)20-26-11-9-23(10-12-26)18-22-5-7-24(8-6-22)19-27-13-15-28-16-14-27/h2-8,17,23H,9-16,18-20H2,1H3

InChI Key

YBTPXPGLUXLYSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31964972

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.56

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.658

Distribution Coefficient, logD

3.253

Water Solubility, LogSw

-4.41

Polar Surface Area

15.341

Acid Dissociation Constant (pKa)

25.76

Base Dissociation Constant (pKb)

8.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.00

S722-0776 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S722-0776 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S722-0776?
Check Price and Availability of S722-0776, 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 S722-0776 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S722-0776
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S722-0776
  • 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 S722-0776 available by request