S787-1411 Screening compound: 2-{[4-({4-[3-oxo-3-(pyrrolidin-1-yl)propyl]phenyl}methyl)piperidin-1-yl]methyl}benzonitrile

S787-1411 Screening compound: 2-{[4-({4-[3-oxo-3-(pyrrolidin-1-yl)propyl]phenyl}methyl)piperidin-1-yl]methyl}benzonitrile
S787-1411 Screening compound: 2-{[4-({4-[3-oxo-3-(pyrrolidin-1-yl)propyl]phenyl}methyl)piperidin-1-yl]methyl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound S787-1411
2-{[4-({4-[3-oxo-3-(pyrrolidin-1-yl)propyl]phenyl}methyl)piperidin-1-yl]methyl}benzonitrile

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

S787-1411

Molecular Formula

C27H33N3O (C27 H33 N3 O)

Compound Name

2-{[4-({4-[3-oxo-3-(pyrrolidin-1-yl)propyl]phenyl}methyl)piperidin-1-yl]methyl}benzonitrile

IUPAC name

2-{[4-({4-[3-oxo-3-(pyrrolidin-1-yl)propyl]phenyl}methyl)piperidin-1-yl]methyl}benzonitrile

SMILES

N#Cc1c(CN2CCC(Cc3ccc(CCC(N4CCCC4)=O)cc3)CC2)cccc1

InChI

InChI=1S/C27H33N3O/c28-20-25-5-1-2-6-26(25)21-29-17-13-24(14-18-29)19-23-9-7-22(8-10-23)11-12-27(31)30-15-3-4-16-30/h1-2,5-10,24H,3-4,11-19,21H2

InChI Key

QXYXEGSMLYTJOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32228518

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.58

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.770

Distribution Coefficient, logD

4.387

Water Solubility, LogSw

-4.74

Polar Surface Area

37.243

Acid Dissociation Constant (pKa)

23.24

Base Dissociation Constant (pKb)

7.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.15

S787-1411 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S787-1411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S787-1411?
Check Price and Availability of S787-1411, 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 S787-1411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S787-1411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S787-1411
  • 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 S787-1411 available by request