S787-1077 Screening compound: N-cyclopropyl-3-[4-({1'-ethyl-[1,4'-bipiperidin]-4-yl}methyl)phenyl]propanamide

S787-1077 Screening compound: N-cyclopropyl-3-[4-({1'-ethyl-[1,4'-bipiperidin]-4-yl}methyl)phenyl]propanamide
S787-1077 Screening compound: N-cyclopropyl-3-[4-({1'-ethyl-[1,4'-bipiperidin]-4-yl}methyl)phenyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S787-1077
N-cyclopropyl-3-[4-({1'-ethyl-[1,4'-bipiperidin]-4-yl}methyl)phenyl]propanamide

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

S787-1077

Molecular Formula

C25H39N3O (C25 H39 N3 O)

Compound Name

N-cyclopropyl-3-[4-({1'-ethyl-[1,4'-bipiperidin]-4-yl}methyl)phenyl]propanamide

IUPAC name

N-cyclopropyl-3-[4-({1'-ethyl-[14'-bipiperidin]-4-yl}methyl)phenyl]propanamide

SMILES

CCN(CC1)CCC1N1CCC(Cc2ccc(CCC(NC3CC3)=O)cc2)CC1

InChI

InChI=1S/C25H39N3O/c1-2-27-15-13-24(14-16-27)28-17-11-22(12-18-28)19-21-5-3-20(4-6-21)7-10-25(29)26-23-8-9-23/h3-6,22-24H,2,7-19H2,1H3,(H,26,29)

InChI Key

ITGIQGFDPCNZEB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31994731

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.6

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.874

Distribution Coefficient, logD

2.109

Water Solubility, LogSw

-3.89

Polar Surface Area

31.045

Acid Dissociation Constant (pKa)

13.24

Base Dissociation Constant (pKb)

9.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

72.00

S787-1077 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S787-1077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S787-1077?
Check Price and Availability of S787-1077, 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 S787-1077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S787-1077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S787-1077
  • 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 S787-1077 available by request