S787-0654 Screening compound: 3-(4-{[1-(3-cyanobenzoyl)piperidin-4-yl]methyl}phenyl)-N,N-dimethylpropanamide

S787-0654 Screening compound: 3-(4-{[1-(3-cyanobenzoyl)piperidin-4-yl]methyl}phenyl)-N,N-dimethylpropanamide
S787-0654 Screening compound: 3-(4-{[1-(3-cyanobenzoyl)piperidin-4-yl]methyl}phenyl)-N,N-dimethylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S787-0654
3-(4-{[1-(3-cyanobenzoyl)piperidin-4-yl]methyl}phenyl)-N,N-dimethylpropanamide

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

S787-0654

Molecular Formula

C25H29N3O2 (C25 H29 N3 O2)

Compound Name

3-(4-{[1-(3-cyanobenzoyl)piperidin-4-yl]methyl}phenyl)-N,N-dimethylpropanamide

IUPAC name

3-(4-{[1-(3-cyanobenzoyl)piperidin-4-yl]methyl}phenyl)-NN-dimethylpropanamide

SMILES

CN(C)C(CCc1ccc(CC(CC2)CCN2C(c2cc(C#N)ccc2)=O)cc1)=O

InChI

InChI=1S/C25H29N3O2/c1-27(2)24(29)11-10-19-6-8-20(9-7-19)16-21-12-14-28(15-13-21)25(30)23-5-3-4-22(17-23)18-26/h3-9,17,21H,10-16H2,1-2H3

InChI Key

NJQKRBNJNBVSIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32227908

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.018

Distribution Coefficient, logD

3.018

Water Solubility, LogSw

-3.21

Polar Surface Area

49.145

Acid Dissociation Constant (pKa)

22.08

Base Dissociation Constant (pKb)

-0.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

S787-0654 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
Structure:
  • Mimetics
Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors

References: we are preparing a list of scientific research reports with S787-0654 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S787-0654?
Check Price and Availability of S787-0654, 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 S787-0654 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S787-0654
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S787-0654
  • 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 S787-0654 available by request