S787-1109 Screening compound: N-cyclopropyl-3-[4-({1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl}methyl)phenyl]propanamide

S787-1109 Screening compound: N-cyclopropyl-3-[4-({1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl}methyl)phenyl]propanamide
S787-1109 Screening compound: N-cyclopropyl-3-[4-({1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl}methyl)phenyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S787-1109
N-cyclopropyl-3-[4-({1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]piperidin-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

S787-1109

Molecular Formula

C25H36N4O (C25 H36 N4 O)

Compound Name

N-cyclopropyl-3-[4-({1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl}methyl)phenyl]propanamide

IUPAC name

N-cyclopropyl-3-[4-({1-[(135-trimethyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl}methyl)phenyl]propanamide

SMILES

Cc1c(CN2CCC(Cc3ccc(CCC(NC4CC4)=O)cc3)CC2)c(C)nn1C

InChI

InChI=1S/C25H36N4O/c1-18-24(19(2)28(3)27-18)17-29-14-12-22(13-15-29)16-21-6-4-20(5-7-21)8-11-25(30)26-23-9-10-23/h4-7,22-23H,8-17H2,1-3H3,(H,26,30)

InChI Key

PDDCQMNLZIEAON-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32228147

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.59

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.118

Distribution Coefficient, logD

-1.454

Water Solubility, LogSw

-3.26

Polar Surface Area

42.795

Acid Dissociation Constant (pKa)

13.24

Base Dissociation Constant (pKb)

11.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

S787-1109 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Therapeutical areas:
  • Nervous system
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S787-1109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S787-1109?
Check Price and Availability of S787-1109, 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 S787-1109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S787-1109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S787-1109
  • 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 S787-1109 available by request