S976-0229 Screening compound: N1-benzyl-3-fluoro-N3-[(pyridin-4-yl)methyl]piperidine-1,3-dicarboxamide

S976-0229 Screening compound: N1-benzyl-3-fluoro-N3-[(pyridin-4-yl)methyl]piperidine-1,3-dicarboxamide
S976-0229 Screening compound: N1-benzyl-3-fluoro-N3-[(pyridin-4-yl)methyl]piperidine-1,3-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S976-0229
N1-benzyl-3-fluoro-N3-[(pyridin-4-yl)methyl]piperidine-1,3-dicarboxamide

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

S976-0229

Molecular Formula

C20H23FN4O2 (C20 H23 FN4 O2)

Compound Name

N1-benzyl-3-fluoro-N3-[(pyridin-4-yl)methyl]piperidine-1,3-dicarboxamide

IUPAC name

N1-benzyl-3-fluoro-N3-[(pyridin-4-yl)methyl]piperidine-13-dicarboxamide

SMILES

O=C(C(CCC1)(CN1C(NCc1ccccc1)=O)F)NCc1ccncc1

InChI

InChI=1S/C20H23FN4O2/c21-20(18(26)23-13-17-7-10-22-11-8-17)9-4-12-25(15-20)19(27)24-14-16-5-2-1-3-6-16/h1-3,5-8,10-11H,4,9,12-15H2,(H,23,26)(H,24,27)/t20-/m0/s1

InChI Key

BQRPACHQTPIQKH-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD31998243

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.212

Distribution Coefficient, logD

1.208

Water Solubility, LogSw

-1.60

Polar Surface Area

60.805

Acid Dissociation Constant (pKa)

11.52

Base Dissociation Constant (pKb)

5.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

S976-0229 in Drug Discovery

Included in Screening Libraries

NOTUM (Wnt signaling) Library (3881 compounds)

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 S976-0229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S976-0229?
Check Price and Availability of S976-0229, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S976-0229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S976-0229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S976-0229
  • 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 S976-0229 available by request