F362-3141 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[6-(benzylsulfanyl)pyridazin-3-yl]piperidine-4-carboxamide

F362-3141 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[6-(benzylsulfanyl)pyridazin-3-yl]piperidine-4-carboxamide
F362-3141 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[6-(benzylsulfanyl)pyridazin-3-yl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F362-3141
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[6-(benzylsulfanyl)pyridazin-3-yl]piperidine-4-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

F362-3141

Molecular Formula

C25H26N4O3S (C25 H26 N4 O3 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[6-(benzylsulfanyl)pyridazin-3-yl]piperidine-4-carboxamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-1-[6-(benzylsulfanyl)pyridazin-3-yl]piperidine-4-carboxamide

SMILES

O=C(C(CC1)CCN1c(cc1)nnc1SCc1ccccc1)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C25H26N4O3S/c30-25(26-15-19-6-7-21-22(14-19)32-17-31-21)20-10-12-29(13-11-20)23-8-9-24(28-27-23)33-16-18-4-2-1-3-5-18/h1-9,14,20H,10-13,15-17H2,(H,26,30)

InChI Key

KVZQCKLBGNOVCA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27119226

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.613

Distribution Coefficient, logD

3.612

Water Solubility, LogSw

-3.64

Polar Surface Area

65.516

Acid Dissociation Constant (pKa)

14.07

Base Dissociation Constant (pKb)

9.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

F362-3141 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with F362-3141 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F362-3141?
Check Price and Availability of F362-3141, 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 F362-3141 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F362-3141
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F362-3141
  • 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 F362-3141 available by request