F789-0527 Screening compound: N-(1,3-benzodioxol-5-ylmethyl)-1-[6-(4-ethylpiperazino)-3-pyridazinyl]-3-piperidinecarboxamide

F789-0527 Screening compound: N-(1,3-benzodioxol-5-ylmethyl)-1-[6-(4-ethylpiperazino)-3-pyridazinyl]-3-piperidinecarboxamide
F789-0527 Screening compound: N-(1,3-benzodioxol-5-ylmethyl)-1-[6-(4-ethylpiperazino)-3-pyridazinyl]-3-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F789-0527
N-(1,3-benzodioxol-5-ylmethyl)-1-[6-(4-ethylpiperazino)-3-pyridazinyl]-3-piperidinecarboxamide

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

F789-0527

Molecular Formula

C24H32N6O3 (C24 H32 N6 O3)

Compound Name

N-(1,3-benzodioxol-5-ylmethyl)-1-[6-(4-ethylpiperazino)-3-pyridazinyl]-3-piperidinecarboxamide

IUPAC name

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

SMILES

CCN(CC1)CCN1c(cc1)nnc1N(CCC1)CC1C(NCc(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C24H32N6O3/c1-2-28-10-12-29(13-11-28)22-7-8-23(27-26-22)30-9-3-4-19(16-30)24(31)25-15-18-5-6-20-21(14-18)33-17-32-20/h5-8,14,19H,2-4,9-13,15-17H2,1H3,(H,25,31)

InChI Key

REZITQYLSZEBOL-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.190

Distribution Coefficient, logD

1.499

Water Solubility, LogSw

-2.67

Polar Surface Area

72.812

Acid Dissociation Constant (pKa)

13.86

Base Dissociation Constant (pKb)

7.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.17

F789-0527 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with F789-0527 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F789-0527?
Check Price and Availability of F789-0527, 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 F789-0527 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F789-0527
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F789-0527
  • 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 F789-0527 available by request