8020-4836 Screening compound: 5-{[(4-fluorophenyl)amino]methyl}-2-[(2-fluorophenyl)methyl]-2,3-dihydro-1H-1,2,4-triazol-3-one

8020-4836 Screening compound: 5-{[(4-fluorophenyl)amino]methyl}-2-[(2-fluorophenyl)methyl]-2,3-dihydro-1H-1,2,4-triazol-3-one
8020-4836 Screening compound: 5-{[(4-fluorophenyl)amino]methyl}-2-[(2-fluorophenyl)methyl]-2,3-dihydro-1H-1,2,4-triazol-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-4836
5-{[(4-fluorophenyl)amino]methyl}-2-[(2-fluorophenyl)methyl]-2,3-dihydro-1H-1,2,4-triazol-3-one

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

8020-4836

Molecular Formula

C16H14F2N4O (C16 H14 F2 N4 O)

Compound Name

5-{[(4-fluorophenyl)amino]methyl}-2-[(2-fluorophenyl)methyl]-2,3-dihydro-1H-1,2,4-triazol-3-one

IUPAC name

5-{[(4-fluorophenyl)amino]methyl}-2-[(2-fluorophenyl)methyl]-23-dihydro-1H-124-triazol-3-one

SMILES

O=C1N=C(CNc(cc2)ccc2F)NN1Cc(cccc1)c1F

InChI

InChI=1S/C16H14F2N4O/c17-12-5-7-13(8-6-12)19-9-15-20-16(23)22(21-15)10-11-3-1-2-4-14(11)18/h1-8,19H,9-10H2,(H,20,21,23)

InChI Key

VIIDCFOAWKYTGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16624801

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.31

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.907

Distribution Coefficient, logD

2.907

Water Solubility, LogSw

-3.16

Polar Surface Area

51.139

Acid Dissociation Constant (pKa)

8.17

Base Dissociation Constant (pKb)

6.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8020-4836 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Antibacterial Compounds Library (13827 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Cardiovascular
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Proteases
  • Others

References: we are preparing a list of scientific research reports with 8020-4836 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-4836?
Check Price and Availability of 8020-4836, 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 8020-4836 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-4836
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-4836
  • 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 8020-4836 available by request