S787-1905 Screening compound: N-(cyclopropylmethyl)-3-(4-{[1-(1,3,5-trimethyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]methyl}phenyl)propanamide

S787-1905 Screening compound: N-(cyclopropylmethyl)-3-(4-{[1-(1,3,5-trimethyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]methyl}phenyl)propanamide
S787-1905 Screening compound: N-(cyclopropylmethyl)-3-(4-{[1-(1,3,5-trimethyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]methyl}phenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S787-1905
N-(cyclopropylmethyl)-3-(4-{[1-(1,3,5-trimethyl-1H-pyrazole-4-carbonyl)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

S787-1905

Molecular Formula

C26H36N4O2 (C26 H36 N4 O2)

Compound Name

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

IUPAC name

N-(cyclopropylmethyl)-3-(4-{[1-(135-trimethyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]methyl}phenyl)propanamide

SMILES

Cc1c(C(N2CCC(Cc3ccc(CCC(NCC4CC4)=O)cc3)CC2)=O)c(C)nn1C

InChI

InChI=1S/C26H36N4O2/c1-18-25(19(2)29(3)28-18)26(32)30-14-12-22(13-15-30)16-21-6-4-20(5-7-21)10-11-24(31)27-17-23-8-9-23/h4-7,22-23H,8-17H2,1-3H3,(H,27,31)

InChI Key

FDUDLJWRUDEOFR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32227970

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.730

Distribution Coefficient, logD

2.730

Water Solubility, LogSw

-3.07

Polar Surface Area

56.178

Acid Dissociation Constant (pKa)

15.51

Base Dissociation Constant (pKb)

2.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.69

S787-1905 in Drug Discovery

Included in Screening Libraries

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

Lipid Metabolism Library (9174 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:
  • Cardiovascular
  • Metabolic
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S787-1905 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S787-1905?
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What is the minimum amount of S787-1905 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S787-1905
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S787-1905
  • 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 S787-1905 available by request