S976-1548 Screening compound: 3-fluoro-1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-N-[(pyridin-4-yl)methyl]piperidine-3-carboxamide

S976-1548 Screening compound: 3-fluoro-1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-N-[(pyridin-4-yl)methyl]piperidine-3-carboxamide
S976-1548 Screening compound: 3-fluoro-1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-N-[(pyridin-4-yl)methyl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S976-1548
3-fluoro-1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-N-[(pyridin-4-yl)methyl]piperidine-3-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

S976-1548

Molecular Formula

C23H26FN3O3 (C23 H26 FN3 O3)

Compound Name

3-fluoro-1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-N-[(pyridin-4-yl)methyl]piperidine-3-carboxamide

IUPAC name

3-fluoro-1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-N-[(pyridin-4-yl)methyl]piperidine-3-carboxamide

SMILES

COc1ccc(C2(CC2)C(N(CCC2)CC2(C(NCc2ccncc2)=O)F)=O)cc1

InChI

InChI=1S/C23H26FN3O3/c1-30-19-5-3-18(4-6-19)22(10-11-22)21(29)27-14-2-9-23(24,16-27)20(28)26-15-17-7-12-25-13-8-17/h3-8,12-13H,2,9-11,14-16H2,1H3,(H,26,28)/t23-/m0/s1

InChI Key

JQJMRWZOGKZWEA-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD32232387

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.783

Distribution Coefficient, logD

1.779

Water Solubility, LogSw

-2.00

Polar Surface Area

58.457

Acid Dissociation Constant (pKa)

11.52

Base Dissociation Constant (pKb)

5.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.48

S976-1548 in Drug Discovery

Included in Screening Libraries

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Ion Channels Focused Library (26372 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S976-1548 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S976-1548?
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What is the minimum amount of S976-1548 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S976-1548
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S976-1548
  • 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 S976-1548 available by request