S722-0002 Screening compound: 4-({4-[(pyrrolidin-1-yl)methyl]phenyl}methyl)piperidine

S722-0002 Screening compound: 4-({4-[(pyrrolidin-1-yl)methyl]phenyl}methyl)piperidine
S722-0002 Screening compound: 4-({4-[(pyrrolidin-1-yl)methyl]phenyl}methyl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S722-0002
4-({4-[(pyrrolidin-1-yl)methyl]phenyl}methyl)piperidine

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

S722-0002

Molecular Formula

C17H26N2 (C17 H26 N2)

Compound Name

4-({4-[(pyrrolidin-1-yl)methyl]phenyl}methyl)piperidine

IUPAC name

4-({4-[(pyrrolidin-1-yl)methyl]phenyl}methyl)piperidine

SMILES

C(C1CCNCC1)c1ccc(CN2CCCC2)cc1

InChI

InChI=1S/C17H26N2/c1-2-12-19(11-1)14-17-5-3-15(4-6-17)13-16-7-9-18-10-8-16/h3-6,16,18H,1-2,7-14H2

InChI Key

HYWKOEPIMZIRFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28898014

Chemical and Physical Properties

Saltdata

2HCl

Molecular Weight

258.41

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

1.865

Distribution Coefficient, logD

-1.074

Water Solubility, LogSw

-1.95

Polar Surface Area

16.218

Acid Dissociation Constant (pKa)

25.46

Base Dissociation Constant (pKb)

10.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

64.70

S722-0002 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with S722-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S722-0002?
Check Price and Availability of S722-0002, 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 S722-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S722-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S722-0002
  • 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 S722-0002 available by request