8020-2477 Screening compound: 5-{[(4-fluorophenyl)amino]methyl}-2,3-dihydro-1H-1,2,4-triazol-3-one

8020-2477 Screening compound: 5-{[(4-fluorophenyl)amino]methyl}-2,3-dihydro-1H-1,2,4-triazol-3-one
8020-2477 Screening compound: 5-{[(4-fluorophenyl)amino]methyl}-2,3-dihydro-1H-1,2,4-triazol-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-2477
5-{[(4-fluorophenyl)amino]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

8020-2477

Molecular Formula

C9H9FN4O (C9 H9 FN4 O)

Compound Name

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

IUPAC name

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

SMILES

O=C1N=C(CNc(cc2)ccc2F)NN1

InChI

InChI=1S/C9H9FN4O/c10-6-1-3-7(4-2-6)11-5-8-12-9(15)14-13-8/h1-4,11H,5H2,(H2,12,13,14,15)

InChI Key

LRSMLSUFPDMYND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16623044

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

208.2

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.763

Distribution Coefficient, logD

-2.054

Water Solubility, LogSw

-1.72

Polar Surface Area

61.151

Acid Dissociation Constant (pKa)

11.52

Base Dissociation Constant (pKb)

6.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.11

8020-2477 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 8020-2477 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-2477?
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What is the minimum amount of 8020-2477 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-2477
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-2477
  • 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 8020-2477 available by request