S787-1007 Screening compound: 3-[4-({1-[(3-cyanophenyl)methyl]piperidin-4-yl}methyl)phenyl]-N-cyclopropylpropanamide

S787-1007 Screening compound: 3-[4-({1-[(3-cyanophenyl)methyl]piperidin-4-yl}methyl)phenyl]-N-cyclopropylpropanamide
S787-1007 Screening compound: 3-[4-({1-[(3-cyanophenyl)methyl]piperidin-4-yl}methyl)phenyl]-N-cyclopropylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S787-1007
3-[4-({1-[(3-cyanophenyl)methyl]piperidin-4-yl}methyl)phenyl]-N-cyclopropylpropanamide

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

S787-1007

Molecular Formula

C26H31N3O (C26 H31 N3 O)

Compound Name

3-[4-({1-[(3-cyanophenyl)methyl]piperidin-4-yl}methyl)phenyl]-N-cyclopropylpropanamide

IUPAC name

3-[4-({1-[(3-cyanophenyl)methyl]piperidin-4-yl}methyl)phenyl]-N-cyclopropylpropanamide

SMILES

N#Cc1cccc(CN2CCC(Cc3ccc(CCC(NC4CC4)=O)cc3)CC2)c1

InChI

InChI=1S/C26H31N3O/c27-18-23-2-1-3-24(17-23)19-29-14-12-22(13-15-29)16-21-6-4-20(5-7-21)8-11-26(30)28-25-9-10-25/h1-7,17,22,25H,8-16,19H2,(H,28,30)

InChI Key

DNEIVIXINRNSND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32227917

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.167

Distribution Coefficient, logD

3.950

Water Solubility, LogSw

-4.31

Polar Surface Area

45.012

Acid Dissociation Constant (pKa)

13.24

Base Dissociation Constant (pKb)

7.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.15

S787-1007 in Drug Discovery

Included in Screening Libraries

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

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

Lipid Metabolism Library (9174 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Metabolic
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
Targets:
  • Nuclear receptors
  • Ion Channels

References: we are preparing a list of scientific research reports with S787-1007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S787-1007?
Check Price and Availability of S787-1007, 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 S787-1007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S787-1007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S787-1007
  • 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 S787-1007 available by request