S722-0001 Screening compound: dimethyl({4-[(piperidin-4-yl)methyl]phenyl}methyl)amine

S722-0001 Screening compound: dimethyl({4-[(piperidin-4-yl)methyl]phenyl}methyl)amine
S722-0001 Screening compound: dimethyl({4-[(piperidin-4-yl)methyl]phenyl}methyl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound S722-0001
dimethyl({4-[(piperidin-4-yl)methyl]phenyl}methyl)amine

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

S722-0001

Molecular Formula

C15H24N2 (C15 H24 N2)

Compound Name

dimethyl({4-[(piperidin-4-yl)methyl]phenyl}methyl)amine

IUPAC name

dimethyl({4-[(piperidin-4-yl)methyl]phenyl}methyl)amine

SMILES

CN(C)Cc1ccc(CC2CCNCC2)cc1

InChI

InChI=1S/C15H24N2/c1-17(2)12-15-5-3-13(4-6-15)11-14-7-9-16-10-8-14/h3-6,14,16H,7-12H2,1-2H3

InChI Key

PTNVBAZHLFJXIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28898013

Chemical and Physical Properties

Saltdata

2HCl

Molecular Weight

232.37

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

1.211

Distribution Coefficient, logD

-1.728

Water Solubility, LogSw

-1.35

Polar Surface Area

16.007

Acid Dissociation Constant (pKa)

25.46

Base Dissociation Constant (pKb)

10.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

S722-0001 in Drug Discovery

Included in Screening Libraries

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

Cardiovascular Library (22201 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S722-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S722-0001?
Check Price and Availability of S722-0001, 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 S722-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S722-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S722-0001
  • 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 S722-0001 available by request