S723-2262 Screening compound: 2-(3-methoxyphenyl)-1-{4-[(4-{[(pyridin-4-yl)methoxy]methyl}phenyl)methyl]piperidin-1-yl}ethan-1-one

S723-2262 Screening compound: 2-(3-methoxyphenyl)-1-{4-[(4-{[(pyridin-4-yl)methoxy]methyl}phenyl)methyl]piperidin-1-yl}ethan-1-one
S723-2262 Screening compound: 2-(3-methoxyphenyl)-1-{4-[(4-{[(pyridin-4-yl)methoxy]methyl}phenyl)methyl]piperidin-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S723-2262
2-(3-methoxyphenyl)-1-{4-[(4-{[(pyridin-4-yl)methoxy]methyl}phenyl)methyl]piperidin-1-yl}ethan-1-one

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

S723-2262

Molecular Formula

C28H32N2O3 (C28 H32 N2 O3)

Compound Name

2-(3-methoxyphenyl)-1-{4-[(4-{[(pyridin-4-yl)methoxy]methyl}phenyl)methyl]piperidin-1-yl}ethan-1-one

IUPAC name

2-(3-methoxyphenyl)-1-{4-[(4-{[(pyridin-4-yl)methoxy]methyl}phenyl)methyl]piperidin-1-yl}ethan-1-one

SMILES

COc1cccc(CC(N2CCC(Cc3ccc(COCc4ccncc4)cc3)CC2)=O)c1

InChI

InChI=1S/C28H32N2O3/c1-32-27-4-2-3-26(18-27)19-28(31)30-15-11-23(12-16-30)17-22-5-7-24(8-6-22)20-33-21-25-9-13-29-14-10-25/h2-10,13-14,18,23H,11-12,15-17,19-21H2,1H3

InChI Key

OXCWLOURZDNLCT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31968365

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.57

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

4.443

Distribution Coefficient, logD

4.440

Water Solubility, LogSw

-4.49

Polar Surface Area

41.223

Acid Dissociation Constant (pKa)

18.21

Base Dissociation Constant (pKb)

5.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.71

S723-2262 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

KRAS-Targeted Library (16000 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S723-2262 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S723-2262?
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What is the minimum amount of S723-2262 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S723-2262
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S723-2262
  • 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 S723-2262 available by request