F428-0272 Screening compound: N-[(4-chlorophenyl)methyl]-1-[6-(pyrrolidin-1-yl)pyridazin-3-yl]piperidine-4-carboxamide

F428-0272 Screening compound: N-[(4-chlorophenyl)methyl]-1-[6-(pyrrolidin-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
F428-0272 Screening compound: N-[(4-chlorophenyl)methyl]-1-[6-(pyrrolidin-1-yl)pyridazin-3-yl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F428-0272
N-[(4-chlorophenyl)methyl]-1-[6-(pyrrolidin-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

F428-0272

Molecular Formula

C21H26ClN5O (C21 H26 ClN5 O)

Compound Name

N-[(4-chlorophenyl)methyl]-1-[6-(pyrrolidin-1-yl)pyridazin-3-yl]piperidine-4-carboxamide

IUPAC name

N-[(4-chlorophenyl)methyl]-1-[6-(pyrrolidin-1-yl)pyridazin-3-yl]piperidine-4-carboxamide

SMILES

O=C(C(CC1)CCN1c(cc1)nnc1N1CCCC1)NCc(cc1)ccc1Cl

InChI

InChI=1S/C21H26ClN5O/c22-18-5-3-16(4-6-18)15-23-21(28)17-9-13-27(14-10-17)20-8-7-19(24-25-20)26-11-1-2-12-26/h3-8,17H,1-2,9-15H2,(H,23,28)

InChI Key

MYTGKMBDVQUIHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27127499

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.92

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.396

Distribution Coefficient, logD

3.394

Water Solubility, LogSw

-3.70

Polar Surface Area

52.593

Acid Dissociation Constant (pKa)

12.14

Base Dissociation Constant (pKb)

7.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

F428-0272 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

GPCR Targeted Library (31838 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
  • Mimetics
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with F428-0272 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F428-0272?
Check Price and Availability of F428-0272, 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 F428-0272 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F428-0272
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F428-0272
  • 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 F428-0272 available by request