S722-0529 Screening compound: N-benzyl-4-({4-[(pyrrolidin-1-yl)methyl]phenyl}methyl)piperidine-1-carboxamide

S722-0529 Screening compound: N-benzyl-4-({4-[(pyrrolidin-1-yl)methyl]phenyl}methyl)piperidine-1-carboxamide
S722-0529 Screening compound: N-benzyl-4-({4-[(pyrrolidin-1-yl)methyl]phenyl}methyl)piperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S722-0529
N-benzyl-4-({4-[(pyrrolidin-1-yl)methyl]phenyl}methyl)piperidine-1-carboxamide

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

S722-0529

Molecular Formula

C25H33N3O (C25 H33 N3 O)

Compound Name

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

IUPAC name

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

SMILES

O=C(NCc1ccccc1)N1CCC(Cc2ccc(CN3CCCC3)cc2)CC1

InChI

InChI=1S/C25H33N3O/c29-25(26-19-23-6-2-1-3-7-23)28-16-12-22(13-17-28)18-21-8-10-24(11-9-21)20-27-14-4-5-15-27/h1-3,6-11,22H,4-5,12-20H2,(H,26,29)

InChI Key

QRXLZELQUZEZLC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31982119

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.56

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.129

Distribution Coefficient, logD

1.509

Water Solubility, LogSw

-4.13

Polar Surface Area

30.857

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

10.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

S722-0529 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 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:
  • Immune system
  • Nervous system
  • Nervous system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with S722-0529 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S722-0529?
Check Price and Availability of S722-0529, 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 S722-0529 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S722-0529
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S722-0529
  • 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 S722-0529 available by request