S723-2535 Screening compound: 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-{4-[(4-{[(pyridin-4-yl)methoxy]methyl}phenyl)methyl]piperidin-1-yl}propan-1-one

S723-2535 Screening compound: 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-{4-[(4-{[(pyridin-4-yl)methoxy]methyl}phenyl)methyl]piperidin-1-yl}propan-1-one
S723-2535 Screening compound: 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-{4-[(4-{[(pyridin-4-yl)methoxy]methyl}phenyl)methyl]piperidin-1-yl}propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S723-2535
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-{4-[(4-{[(pyridin-4-yl)methoxy]methyl}phenyl)methyl]piperidin-1-yl}propan-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

S723-2535

Molecular Formula

C27H34N4O2 (C27 H34 N4 O2)

Compound Name

3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-{4-[(4-{[(pyridin-4-yl)methoxy]methyl}phenyl)methyl]piperidin-1-yl}propan-1-one

IUPAC name

3-(35-dimethyl-1H-pyrazol-4-yl)-1-{4-[(4-{[(pyridin-4-yl)methoxy]methyl}phenyl)methyl]piperidin-1-yl}propan-1-one

SMILES

Cc1c(CCC(N2CCC(Cc3ccc(COCc4ccncc4)cc3)CC2)=O)c(C)n[nH]1

InChI

InChI=1S/C27H34N4O2/c1-20-26(21(2)30-29-20)7-8-27(32)31-15-11-23(12-16-31)17-22-3-5-24(6-4-22)18-33-19-25-9-13-28-14-10-25/h3-6,9-10,13-14,23H,7-8,11-12,15-19H2,1-2H3,(H,29,30)

InChI Key

CRDYFPZRERBUSH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31968544

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.514

Distribution Coefficient, logD

3.511

Water Solubility, LogSw

-3.44

Polar Surface Area

57.594

Acid Dissociation Constant (pKa)

14.20

Base Dissociation Constant (pKb)

5.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.44

S723-2535 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S723-2535 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S723-2535?
Check Price and Availability of S723-2535, 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 S723-2535 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S723-2535
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S723-2535
  • 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 S723-2535 available by request