S723-0699 Screening compound: 4-[4-({4-[(pyridin-4-yloxy)methyl]phenyl}methyl)piperidine-1-carbonyl]benzonitrile

S723-0699 Screening compound: 4-[4-({4-[(pyridin-4-yloxy)methyl]phenyl}methyl)piperidine-1-carbonyl]benzonitrile
S723-0699 Screening compound: 4-[4-({4-[(pyridin-4-yloxy)methyl]phenyl}methyl)piperidine-1-carbonyl]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound S723-0699
4-[4-({4-[(pyridin-4-yloxy)methyl]phenyl}methyl)piperidine-1-carbonyl]benzonitrile

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

S723-0699

Molecular Formula

C26H25N3O2 (C26 H25 N3 O2)

Compound Name

4-[4-({4-[(pyridin-4-yloxy)methyl]phenyl}methyl)piperidine-1-carbonyl]benzonitrile

IUPAC name

4-[4-({4-[(pyridin-4-yloxy)methyl]phenyl}methyl)piperidine-1-carbonyl]benzonitrile

SMILES

N#Cc(cc1)ccc1C(N1CCC(Cc2ccc(COc3ccncc3)cc2)CC1)=O

InChI

InChI=1S/C26H25N3O2/c27-18-22-5-7-24(8-6-22)26(30)29-15-11-21(12-16-29)17-20-1-3-23(4-2-20)19-31-25-9-13-28-14-10-25/h1-10,13-14,21H,11-12,15-17,19H2

InChI Key

QGRDPMPMLGKLPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31965536

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.724

Distribution Coefficient, logD

3.722

Water Solubility, LogSw

-4.07

Polar Surface Area

50.327

Acid Dissociation Constant (pKa)

25.45

Base Dissociation Constant (pKb)

5.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.92

S723-0699 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
Structure:
  • Mimetics
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors

References: we are preparing a list of scientific research reports with S723-0699 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S723-0699?
Check Price and Availability of S723-0699, 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 S723-0699 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S723-0699
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S723-0699
  • 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 S723-0699 available by request