S787-1814 Screening compound: N-(cyclopropylmethyl)-3-[4-({1-[(1-methyl-1H-pyrrol-2-yl)methyl]piperidin-4-yl}methyl)phenyl]propanamide

S787-1814 Screening compound: N-(cyclopropylmethyl)-3-[4-({1-[(1-methyl-1H-pyrrol-2-yl)methyl]piperidin-4-yl}methyl)phenyl]propanamide
S787-1814 Screening compound: N-(cyclopropylmethyl)-3-[4-({1-[(1-methyl-1H-pyrrol-2-yl)methyl]piperidin-4-yl}methyl)phenyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S787-1814
N-(cyclopropylmethyl)-3-[4-({1-[(1-methyl-1H-pyrrol-2-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

S787-1814

Molecular Formula

C25H35N3O (C25 H35 N3 O)

Compound Name

N-(cyclopropylmethyl)-3-[4-({1-[(1-methyl-1H-pyrrol-2-yl)methyl]piperidin-4-yl}methyl)phenyl]propanamide

IUPAC name

N-(cyclopropylmethyl)-3-[4-({1-[(1-methyl-1H-pyrrol-2-yl)methyl]piperidin-4-yl}methyl)phenyl]propanamide

SMILES

Cn1c(CN2CCC(Cc3ccc(CCC(NCC4CC4)=O)cc3)CC2)ccc1

InChI

InChI=1S/C25H35N3O/c1-27-14-2-3-24(27)19-28-15-12-22(13-16-28)17-21-6-4-20(5-7-21)10-11-25(29)26-18-23-8-9-23/h2-7,14,22-23H,8-13,15-19H2,1H3,(H,26,29)

InChI Key

GUWNGEPZJALHBO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32228471

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.57

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.209

Distribution Coefficient, logD

3.606

Water Solubility, LogSw

-4.10

Polar Surface Area

31.320

Acid Dissociation Constant (pKa)

15.51

Base Dissociation Constant (pKb)

7.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.00

S787-1814 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

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

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

References: we are preparing a list of scientific research reports with S787-1814 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S787-1814?
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What is the minimum amount of S787-1814 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S787-1814
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S787-1814
  • 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 S787-1814 available by request