8020-2485 Screening compound: 5-[(4-methoxyanilino)methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one

8020-2485 Screening compound: 5-[(4-methoxyanilino)methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one
8020-2485 Screening compound: 5-[(4-methoxyanilino)methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-2485
5-[(4-methoxyanilino)methyl]-1,2-dihydro-3H-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

8020-2485

Molecular Formula

C10H12N4O2 (C10 H12 N4 O2)

Compound Name

5-[(4-methoxyanilino)methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one

IUPAC name

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

SMILES

COc(cc1)ccc1NCC(NN1)=NC1=O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

220.23

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.717

Distribution Coefficient, logD

-2.101

Water Solubility, LogSw

-1.71

Polar Surface Area

68.695

Acid Dissociation Constant (pKa)

11.52

Base Dissociation Constant (pKb)

6.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8020-2485 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Kinases
  • Proteases

References: we are preparing a list of scientific research reports with 8020-2485 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-2485?
Check Price and Availability of 8020-2485, 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 8020-2485 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-2485
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-2485
  • 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 8020-2485 available by request