S722-0306 Screening compound: {[4-({1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl}methyl)phenyl]methyl}dimethylamine

S722-0306 Screening compound: {[4-({1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl}methyl)phenyl]methyl}dimethylamine
S722-0306 Screening compound: {[4-({1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl}methyl)phenyl]methyl}dimethylamine alternative view

Chemical Structure Depiction of ChemDiv screening compound S722-0306
{[4-({1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl}methyl)phenyl]methyl}dimethylamine

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

S722-0306

Molecular Formula

C23H36N4 (C23 H36 N4)

Compound Name

{[4-({1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl}methyl)phenyl]methyl}dimethylamine

IUPAC name

{[4-({1-[(1-ethyl-35-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl}methyl)phenyl]methyl}dimethylamine

SMILES

CCn1nc(C)c(CN2CCC(Cc3ccc(CN(C)C)cc3)CC2)c1C

InChI

InChI=1S/C23H36N4/c1-6-27-19(3)23(18(2)24-27)17-26-13-11-21(12-14-26)15-20-7-9-22(10-8-20)16-25(4)5/h7-10,21H,6,11-17H2,1-5H3

InChI Key

YIZWOMIHKVDQJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31977347

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.57

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.149

Distribution Coefficient, logD

-2.141

Water Solubility, LogSw

-2.90

Polar Surface Area

21.865

Acid Dissociation Constant (pKa)

25.07

Base Dissociation Constant (pKb)

12.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.87

S722-0306 in Drug Discovery

Included in Screening Libraries

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

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S722-0306 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S722-0306?
Check Price and Availability of S722-0306, 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 S722-0306 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S722-0306
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S722-0306
  • 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 S722-0306 available by request