F789-0965 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[6-(morpholin-4-yl)pyridazin-3-yl]piperidine-3-carboxamide

F789-0965 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[6-(morpholin-4-yl)pyridazin-3-yl]piperidine-3-carboxamide
F789-0965 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[6-(morpholin-4-yl)pyridazin-3-yl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F789-0965
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[6-(morpholin-4-yl)pyridazin-3-yl]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

F789-0965

Molecular Formula

C22H27N5O4 (C22 H27 N5 O4)

Compound Name

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

IUPAC name

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

SMILES

O=C(C(CCC1)CN1c(cc1)nnc1N1CCOCC1)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C22H27N5O4/c28-22(23-13-16-3-4-18-19(12-16)31-15-30-18)17-2-1-7-27(14-17)21-6-5-20(24-25-21)26-8-10-29-11-9-26/h3-6,12,17H,1-2,7-11,13-15H2,(H,23,28)/t17-/m0/s1

InChI Key

LVLCADNWSIVNDF-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27189984

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.869

Distribution Coefficient, logD

1.867

Water Solubility, LogSw

-2.28

Polar Surface Area

77.184

Acid Dissociation Constant (pKa)

13.86

Base Dissociation Constant (pKb)

6.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

F789-0965 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with F789-0965 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F789-0965?
Check Price and Availability of F789-0965, 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 F789-0965 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F789-0965
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F789-0965
  • 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 F789-0965 available by request