S787-0447 Screening compound: 3-[4-({1-[2-(benzyloxy)acetyl]piperidin-4-yl}methyl)phenyl]-N-methylpropanamide

S787-0447 Screening compound: 3-[4-({1-[2-(benzyloxy)acetyl]piperidin-4-yl}methyl)phenyl]-N-methylpropanamide
S787-0447 Screening compound: 3-[4-({1-[2-(benzyloxy)acetyl]piperidin-4-yl}methyl)phenyl]-N-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S787-0447
3-[4-({1-[2-(benzyloxy)acetyl]piperidin-4-yl}methyl)phenyl]-N-methylpropanamide

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

S787-0447

Molecular Formula

C25H32N2O3 (C25 H32 N2 O3)

Compound Name

3-[4-({1-[2-(benzyloxy)acetyl]piperidin-4-yl}methyl)phenyl]-N-methylpropanamide

IUPAC name

3-[4-({1-[2-(benzyloxy)acetyl]piperidin-4-yl}methyl)phenyl]-N-methylpropanamide

SMILES

CNC(CCc1ccc(CC(CC2)CCN2C(COCc2ccccc2)=O)cc1)=O

InChI

InChI=1S/C25H32N2O3/c1-26-24(28)12-11-20-7-9-21(10-8-20)17-22-13-15-27(16-14-22)25(29)19-30-18-23-5-3-2-4-6-23/h2-10,22H,11-19H2,1H3,(H,26,28)

InChI Key

SEUDUIPCINTJEF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32228349

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.038

Distribution Coefficient, logD

3.038

Water Solubility, LogSw

-3.26

Polar Surface Area

49.144

Acid Dissociation Constant (pKa)

14.74

Base Dissociation Constant (pKb)

-0.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

S787-0447 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with S787-0447 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S787-0447?
Check Price and Availability of S787-0447, 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 S787-0447 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S787-0447
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S787-0447
  • 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 S787-0447 available by request