S787-0516 Screening compound: N-(2-fluorophenyl)-4-({4-[2-(methylcarbamoyl)ethyl]phenyl}methyl)piperidine-1-carboxamide

S787-0516 Screening compound: N-(2-fluorophenyl)-4-({4-[2-(methylcarbamoyl)ethyl]phenyl}methyl)piperidine-1-carboxamide
S787-0516 Screening compound: N-(2-fluorophenyl)-4-({4-[2-(methylcarbamoyl)ethyl]phenyl}methyl)piperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S787-0516
N-(2-fluorophenyl)-4-({4-[2-(methylcarbamoyl)ethyl]phenyl}methyl)piperidine-1-carboxamide

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

S787-0516

Molecular Formula

C23H28FN3O2 (C23 H28 FN3 O2)

Compound Name

N-(2-fluorophenyl)-4-({4-[2-(methylcarbamoyl)ethyl]phenyl}methyl)piperidine-1-carboxamide

IUPAC name

N-(2-fluorophenyl)-4-({4-[2-(methylcarbamoyl)ethyl]phenyl}methyl)piperidine-1-carboxamide

SMILES

CNC(CCc1ccc(CC(CC2)CCN2C(Nc(cccc2)c2F)=O)cc1)=O

InChI

InChI=1S/C23H28FN3O2/c1-25-22(28)11-10-17-6-8-18(9-7-17)16-19-12-14-27(15-13-19)23(29)26-21-5-3-2-4-20(21)24/h2-9,19H,10-16H2,1H3,(H,25,28)(H,26,29)

InChI Key

UTJJBENRQKALLI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32228454

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.746

Distribution Coefficient, logD

3.746

Water Solubility, LogSw

-4.02

Polar Surface Area

49.360

Acid Dissociation Constant (pKa)

12.14

Base Dissociation Constant (pKb)

0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.13

S787-0516 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 S787-0516 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S787-0516?
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What is the minimum amount of S787-0516 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S787-0516
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S787-0516
  • 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 S787-0516 available by request