S723-1954 Screening compound: 4-[4-({4-[(2-methoxyethoxy)methyl]phenyl}methyl)piperidine-1-carbonyl]benzonitrile

S723-1954 Screening compound: 4-[4-({4-[(2-methoxyethoxy)methyl]phenyl}methyl)piperidine-1-carbonyl]benzonitrile
S723-1954 Screening compound: 4-[4-({4-[(2-methoxyethoxy)methyl]phenyl}methyl)piperidine-1-carbonyl]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound S723-1954
4-[4-({4-[(2-methoxyethoxy)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

S723-1954

Molecular Formula

C24H28N2O3 (C24 H28 N2 O3)

Compound Name

4-[4-({4-[(2-methoxyethoxy)methyl]phenyl}methyl)piperidine-1-carbonyl]benzonitrile

IUPAC name

4-[4-({4-[(2-methoxyethoxy)methyl]phenyl}methyl)piperidine-1-carbonyl]benzonitrile

SMILES

COCCOCc1ccc(CC(CC2)CCN2C(c(cc2)ccc2C#N)=O)cc1

InChI

InChI=1S/C24H28N2O3/c1-28-14-15-29-18-22-4-2-19(3-5-22)16-20-10-12-26(13-11-20)24(27)23-8-6-21(17-25)7-9-23/h2-9,20H,10-16,18H2,1H3

InChI Key

WGYCQORCPAQCRY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31968361

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.956

Distribution Coefficient, logD

2.956

Water Solubility, LogSw

-3.01

Polar Surface Area

50.367

Acid Dissociation Constant (pKa)

25.45

Base Dissociation Constant (pKb)

-2.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.67

S723-1954 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)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S723-1954 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S723-1954?
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What is the minimum amount of S723-1954 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S723-1954
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S723-1954
  • 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 S723-1954 available by request