S787-1777 Screening compound: N-(cyclopropylmethyl)-3-(4-{[1-(1,5-dimethyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]methyl}phenyl)propanamide

S787-1777 Screening compound: N-(cyclopropylmethyl)-3-(4-{[1-(1,5-dimethyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]methyl}phenyl)propanamide
S787-1777 Screening compound: N-(cyclopropylmethyl)-3-(4-{[1-(1,5-dimethyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]methyl}phenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S787-1777
N-(cyclopropylmethyl)-3-(4-{[1-(1,5-dimethyl-1H-pyrazole-3-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

S787-1777

Molecular Formula

C25H34N4O2 (C25 H34 N4 O2)

Compound Name

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

IUPAC name

N-(cyclopropylmethyl)-3-(4-{[1-(15-dimethyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]methyl}phenyl)propanamide

SMILES

Cc1cc(C(N2CCC(Cc3ccc(CCC(NCC4CC4)=O)cc3)CC2)=O)nn1C

InChI

InChI=1S/C25H34N4O2/c1-18-15-23(27-28(18)2)25(31)29-13-11-21(12-14-29)16-20-5-3-19(4-6-20)9-10-24(30)26-17-22-7-8-22/h3-6,15,21-22H,7-14,16-17H2,1-2H3,(H,26,30)

InChI Key

FWBDTAAJXQKJPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31995115

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

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.034

Distribution Coefficient, logD

3.034

Water Solubility, LogSw

-3.19

Polar Surface Area

55.825

Acid Dissociation Constant (pKa)

15.51

Base Dissociation Constant (pKb)

6.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.00

S787-1777 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 S787-1777 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S787-1777?
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What is the minimum amount of S787-1777 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S787-1777
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S787-1777
  • 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 S787-1777 available by request