S722-2580 Screening compound: N-(2-fluorophenyl)-4-({4-[(piperidin-1-yl)methyl]phenyl}methyl)piperidine-1-carboxamide

S722-2580 Screening compound: N-(2-fluorophenyl)-4-({4-[(piperidin-1-yl)methyl]phenyl}methyl)piperidine-1-carboxamide
S722-2580 Screening compound: N-(2-fluorophenyl)-4-({4-[(piperidin-1-yl)methyl]phenyl}methyl)piperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S722-2580
N-(2-fluorophenyl)-4-({4-[(piperidin-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

S722-2580

Molecular Formula

C25H32FN3O (C25 H32 FN3 O)

Compound Name

N-(2-fluorophenyl)-4-({4-[(piperidin-1-yl)methyl]phenyl}methyl)piperidine-1-carboxamide

IUPAC name

N-(2-fluorophenyl)-4-({4-[(piperidin-1-yl)methyl]phenyl}methyl)piperidine-1-carboxamide

SMILES

O=C(Nc(cccc1)c1F)N1CCC(Cc2ccc(CN3CCCCC3)cc2)CC1

InChI

InChI=1S/C25H32FN3O/c26-23-6-2-3-7-24(23)27-25(30)29-16-12-21(13-17-29)18-20-8-10-22(11-9-20)19-28-14-4-1-5-15-28/h2-3,6-11,21H,1,4-5,12-19H2,(H,27,30)

InChI Key

HGDBTZQYOVWSMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32226629

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.55

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.058

Distribution Coefficient, logD

2.873

Water Solubility, LogSw

-4.65

Polar Surface Area

28.471

Acid Dissociation Constant (pKa)

12.14

Base Dissociation Constant (pKb)

9.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

S722-2580 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Therapeutical areas:
  • Nervous system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • PPI modulators
  • PPI modulators
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with S722-2580 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S722-2580?
Check Price and Availability of S722-2580, 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 S722-2580 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S722-2580
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S722-2580
  • 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 S722-2580 available by request