S690-0747 Screening compound: N-benzyl-4-{[4-(pyrrolidine-1-carbonyl)phenyl]methyl}piperidine-1-carboxamide

S690-0747 Screening compound: N-benzyl-4-{[4-(pyrrolidine-1-carbonyl)phenyl]methyl}piperidine-1-carboxamide
S690-0747 Screening compound: N-benzyl-4-{[4-(pyrrolidine-1-carbonyl)phenyl]methyl}piperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S690-0747
N-benzyl-4-{[4-(pyrrolidine-1-carbonyl)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

S690-0747

Molecular Formula

C25H31N3O2 (C25 H31 N3 O2)

Compound Name

N-benzyl-4-{[4-(pyrrolidine-1-carbonyl)phenyl]methyl}piperidine-1-carboxamide

IUPAC name

N-benzyl-4-{[4-(pyrrolidine-1-carbonyl)phenyl]methyl}piperidine-1-carboxamide

SMILES

O=C(c1ccc(CC(CC2)CCN2C(NCc2ccccc2)=O)cc1)N1CCCC1

InChI

InChI=1S/C25H31N3O2/c29-24(27-14-4-5-15-27)23-10-8-20(9-11-23)18-21-12-16-28(17-13-21)25(30)26-19-22-6-2-1-3-7-22/h1-3,6-11,21H,4-5,12-19H2,(H,26,30)

InChI Key

OHSGXSFVBZIHIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32225712

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.685

Distribution Coefficient, logD

3.685

Water Solubility, LogSw

-4.03

Polar Surface Area

43.772

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

-0.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

S690-0747 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

MCL1 Targeted Library (12200 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

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with S690-0747 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S690-0747?
Check Price and Availability of S690-0747, 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 S690-0747 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S690-0747
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S690-0747
  • 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 S690-0747 available by request