F516-0427 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(6-phenylpyridazin-3-yl)amino]benzamide

F516-0427 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(6-phenylpyridazin-3-yl)amino]benzamide
F516-0427 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(6-phenylpyridazin-3-yl)amino]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F516-0427
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(6-phenylpyridazin-3-yl)amino]benzamide

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

F516-0427

Molecular Formula

C25H20N4O3 (C25 H20 N4 O3)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(6-phenylpyridazin-3-yl)amino]benzamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-4-[(6-phenylpyridazin-3-yl)amino]benzamide

SMILES

O=C(c(cc1)ccc1Nc(cc1)nnc1-c1ccccc1)Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C25H20N4O3/c30-25(27-20-10-12-22-23(16-20)32-15-14-31-22)18-6-8-19(9-7-18)26-24-13-11-21(28-29-24)17-4-2-1-3-5-17/h1-13,16H,14-15H2,(H,26,29)(H,27,30)

InChI Key

HCUNBLJSXXMWMO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27171682

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.802

Distribution Coefficient, logD

3.799

Water Solubility, LogSw

-4.26

Polar Surface Area

70.104

Acid Dissociation Constant (pKa)

9.71

Base Dissociation Constant (pKb)

3.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

F516-0427 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

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

Targeted Diversity Library (40567 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with F516-0427 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F516-0427?
Check Price and Availability of F516-0427, 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 F516-0427 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F516-0427
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F516-0427
  • 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 F516-0427 available by request