8020-2485 Screening compound: 5-[(4-methoxyanilino)methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one
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
InChI
InChI Key
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
- Cancer
- Female
- Congenital
- Skin
- Cancer
- Digestive system
- Cardiovascular
- 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
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Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)