F516-0386 Screening compound: 4-{[6-(3-fluorophenyl)pyridazin-3-yl]amino}-N-[(2-methylphenyl)methyl]benzamide

F516-0386 Screening compound: 4-{[6-(3-fluorophenyl)pyridazin-3-yl]amino}-N-[(2-methylphenyl)methyl]benzamide
F516-0386 Screening compound: 4-{[6-(3-fluorophenyl)pyridazin-3-yl]amino}-N-[(2-methylphenyl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F516-0386
4-{[6-(3-fluorophenyl)pyridazin-3-yl]amino}-N-[(2-methylphenyl)methyl]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

F516-0386

Molecular Formula

C25H21FN4O (C25 H21 FN4 O)

Compound Name

4-{[6-(3-fluorophenyl)pyridazin-3-yl]amino}-N-[(2-methylphenyl)methyl]benzamide

IUPAC name

4-{[6-(3-fluorophenyl)pyridazin-3-yl]amino}-N-[(2-methylphenyl)methyl]benzamide

SMILES

Cc1c(CNC(c(cc2)ccc2Nc(cc2)nnc2-c2cccc(F)c2)=O)cccc1

InChI

InChI=1S/C25H21FN4O/c1-17-5-2-3-6-20(17)16-27-25(31)18-9-11-22(12-10-18)28-24-14-13-23(29-30-24)19-7-4-8-21(26)15-19/h2-15H,16H2,1H3,(H,27,31)(H,28,30)

InChI Key

HIXNYAMGMHKSGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14957703

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.487

Distribution Coefficient, logD

5.487

Water Solubility, LogSw

-5.49

Polar Surface Area

55.603

Acid Dissociation Constant (pKa)

10.80

Base Dissociation Constant (pKb)

5.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

F516-0386 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F516-0386 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F516-0386?
Check Price and Availability of F516-0386, 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 F516-0386 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F516-0386
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F516-0386
  • 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 F516-0386 available by request