S787-1887 Screening compound: N-(cyclopropylmethyl)-3-[4-({1-[2-(3-methyl-1H-pyrazol-1-yl)acetyl]piperidin-4-yl}methyl)phenyl]propanamide

S787-1887 Screening compound: N-(cyclopropylmethyl)-3-[4-({1-[2-(3-methyl-1H-pyrazol-1-yl)acetyl]piperidin-4-yl}methyl)phenyl]propanamide
S787-1887 Screening compound: N-(cyclopropylmethyl)-3-[4-({1-[2-(3-methyl-1H-pyrazol-1-yl)acetyl]piperidin-4-yl}methyl)phenyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S787-1887
N-(cyclopropylmethyl)-3-[4-({1-[2-(3-methyl-1H-pyrazol-1-yl)acetyl]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

S787-1887

Molecular Formula

C25H34N4O2 (C25 H34 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1nn(CC(N2CCC(Cc3ccc(CCC(NCC4CC4)=O)cc3)CC2)=O)cc1

InChI

InChI=1S/C25H34N4O2/c1-19-10-15-29(27-19)18-25(31)28-13-11-22(12-14-28)16-21-4-2-20(3-5-21)8-9-24(30)26-17-23-6-7-23/h2-5,10,15,22-23H,6-9,11-14,16-18H2,1H3,(H,26,30)

InChI Key

ZQTJSGNRMCMRHY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32227874

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.590

Distribution Coefficient, logD

2.590

Water Solubility, LogSw

-2.79

Polar Surface Area

55.278

Acid Dissociation Constant (pKa)

15.51

Base Dissociation Constant (pKb)

6.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.00

S787-1887 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 S787-1887 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S787-1887?
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What is the minimum amount of S787-1887 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S787-1887
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S787-1887
  • 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 S787-1887 available by request