F428-0645 Screening compound: N-[2-methyl-1-(thiophen-2-yl)propyl]-1-[6-(piperidin-1-yl)pyridazin-3-yl]piperidine-4-carboxamide

F428-0645 Screening compound: N-[2-methyl-1-(thiophen-2-yl)propyl]-1-[6-(piperidin-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
F428-0645 Screening compound: N-[2-methyl-1-(thiophen-2-yl)propyl]-1-[6-(piperidin-1-yl)pyridazin-3-yl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F428-0645
N-[2-methyl-1-(thiophen-2-yl)propyl]-1-[6-(piperidin-1-yl)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

F428-0645

Molecular Formula

C23H33N5OS (C23 H33 N5 OS)

Compound Name

N-[2-methyl-1-(thiophen-2-yl)propyl]-1-[6-(piperidin-1-yl)pyridazin-3-yl]piperidine-4-carboxamide

IUPAC name

N-[2-methyl-1-(thiophen-2-yl)propyl]-1-[6-(piperidin-1-yl)pyridazin-3-yl]piperidine-4-carboxamide

SMILES

CC(C)C(c1cccs1)NC(C(CC1)CCN1c(cc1)nnc1N1CCCCC1)=O

InChI

InChI=1S/C23H33N5OS/c1-17(2)22(19-7-6-16-30-19)24-23(29)18-10-14-28(15-11-18)21-9-8-20(25-26-21)27-12-4-3-5-13-27/h6-9,16-18,22H,3-5,10-15H2,1-2H3,(H,24,29)/t22-/m0/s1

InChI Key

FJLAFSPZISOTCU-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14954266

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.61

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.027

Distribution Coefficient, logD

4.023

Water Solubility, LogSw

-3.83

Polar Surface Area

52.597

Acid Dissociation Constant (pKa)

14.15

Base Dissociation Constant (pKb)

7.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.90

F428-0645 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with F428-0645 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F428-0645?
Check Price and Availability of F428-0645, 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 F428-0645 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F428-0645
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F428-0645
  • 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 F428-0645 available by request