S722-0795 Screening compound: 4-{[4-({1-[(2,3-dihydro-1-benzofuran-5-yl)methyl]piperidin-4-yl}methyl)phenyl]methyl}morpholine

S722-0795 Screening compound: 4-{[4-({1-[(2,3-dihydro-1-benzofuran-5-yl)methyl]piperidin-4-yl}methyl)phenyl]methyl}morpholine
S722-0795 Screening compound: 4-{[4-({1-[(2,3-dihydro-1-benzofuran-5-yl)methyl]piperidin-4-yl}methyl)phenyl]methyl}morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound S722-0795
4-{[4-({1-[(2,3-dihydro-1-benzofuran-5-yl)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

S722-0795

Molecular Formula

C26H34N2O2 (C26 H34 N2 O2)

Compound Name

4-{[4-({1-[(2,3-dihydro-1-benzofuran-5-yl)methyl]piperidin-4-yl}methyl)phenyl]methyl}morpholine

IUPAC name

4-{[4-({1-[(23-dihydro-1-benzofuran-5-yl)methyl]piperidin-4-yl}methyl)phenyl]methyl}morpholine

SMILES

C(C1CCN(Cc(cc2)cc3c2OCC3)CC1)c1ccc(CN2CCOCC2)cc1

InChI

InChI=1S/C26H34N2O2/c1-3-23(19-28-12-15-29-16-13-28)4-2-21(1)17-22-7-10-27(11-8-22)20-24-5-6-26-25(18-24)9-14-30-26/h1-6,18,22H,7-17,19-20H2

InChI Key

NPTVDFXSMLVDNQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32226461

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.57

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.010

Distribution Coefficient, logD

2.160

Water Solubility, LogSw

-4.16

Polar Surface Area

23.578

Acid Dissociation Constant (pKa)

25.57

Base Dissociation Constant (pKb)

9.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.85

S722-0795 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with S722-0795 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S722-0795?
Check Price and Availability of S722-0795, 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 S722-0795 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S722-0795
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S722-0795
  • 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 S722-0795 available by request