F363-1428 Screening compound: 1-{6-[(4-bromophenyl)sulfanyl]pyridazin-3-yl}-N-[(oxolan-2-yl)methyl]piperidine-3-carboxamide

F363-1428 Screening compound: 1-{6-[(4-bromophenyl)sulfanyl]pyridazin-3-yl}-N-[(oxolan-2-yl)methyl]piperidine-3-carboxamide
F363-1428 Screening compound: 1-{6-[(4-bromophenyl)sulfanyl]pyridazin-3-yl}-N-[(oxolan-2-yl)methyl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F363-1428
1-{6-[(4-bromophenyl)sulfanyl]pyridazin-3-yl}-N-[(oxolan-2-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

F363-1428

Molecular Formula

C21H25BrN4O2S (C21 H25 BrN4 O2 S)

Compound Name

1-{6-[(4-bromophenyl)sulfanyl]pyridazin-3-yl}-N-[(oxolan-2-yl)methyl]piperidine-3-carboxamide

IUPAC name

1-{6-[(4-bromophenyl)sulfanyl]pyridazin-3-yl}-N-[(oxolan-2-yl)methyl]piperidine-3-carboxamide

SMILES

O=C(C(CCC1)CN1c(cc1)nnc1Sc(cc1)ccc1Br)NCC1OCCC1

InChI

InChI=1S/C21H25BrN4O2S/c22-16-5-7-18(8-6-16)29-20-10-9-19(24-25-20)26-11-1-3-15(14-26)21(27)23-13-17-4-2-12-28-17/h5-10,15,17H,1-4,11-14H2,(H,23,27)

InChI Key

DMBAODKBYIOZPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27119241

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.780

Distribution Coefficient, logD

3.780

Water Solubility, LogSw

-3.85

Polar Surface Area

56.988

Acid Dissociation Constant (pKa)

13.54

Base Dissociation Constant (pKb)

4.63

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.60

F363-1428 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

GPCR Targeted Library (31838 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F363-1428 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F363-1428?
Check Price and Availability of F363-1428, 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 F363-1428 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F363-1428
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F363-1428
  • 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 F363-1428 available by request