S722-0402 Screening compound: 1-(1-phenylcyclopropanecarbonyl)-4-({4-[(pyrrolidin-1-yl)methyl]phenyl}methyl)piperidine

S722-0402 Screening compound: 1-(1-phenylcyclopropanecarbonyl)-4-({4-[(pyrrolidin-1-yl)methyl]phenyl}methyl)piperidine
S722-0402 Screening compound: 1-(1-phenylcyclopropanecarbonyl)-4-({4-[(pyrrolidin-1-yl)methyl]phenyl}methyl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S722-0402
1-(1-phenylcyclopropanecarbonyl)-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

S722-0402

Molecular Formula

C27H34N2O (C27 H34 N2 O)

Compound Name

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

IUPAC name

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

SMILES

O=C(C1(CC1)c1ccccc1)N1CCC(Cc2ccc(CN3CCCC3)cc2)CC1

InChI

InChI=1S/C27H34N2O/c30-26(27(14-15-27)25-6-2-1-3-7-25)29-18-12-23(13-19-29)20-22-8-10-24(11-9-22)21-28-16-4-5-17-28/h1-3,6-11,23H,4-5,12-21H2

InChI Key

ACFRRVWQUMWWSP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31987227

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.58

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.634

Distribution Coefficient, logD

2.015

Water Solubility, LogSw

-4.52

Polar Surface Area

20.965

Acid Dissociation Constant (pKa)

21.04

Base Dissociation Constant (pKb)

10.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

51.85

S722-0402 in Drug Discovery

Included in Screening Libraries

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:
  • 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 S722-0402 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S722-0402?
Check Price and Availability of S722-0402, 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 S722-0402 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S722-0402
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S722-0402
  • 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 S722-0402 available by request