Y020-9728 Screening compound: 7-(3-acetylphenyl)-2-ethylpyrido[4,3-e][1,2,4]triazolo[5,1-c][1,2,4]triazin-6(7H)-one
Chemical Structure Depiction of ChemDiv screening compound Y020-9728
7-(3-acetylphenyl)-2-ethylpyrido[4,3-e][1,2,4]triazolo[5,1-c][1,2,4]triazin-6(7H)-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
Y020-9728
Molecular Formula
C17H14N6O2 (C17 H14 N6 O2)
Compound Name
7-(3-acetylphenyl)-2-ethylpyrido[4,3-e][1,2,4]triazolo[5,1-c][1,2,4]triazin-6(7H)-one
IUPAC name
11-(3-acetylphenyl)-4-ethyl-2357811-hexaazatricyclo[7.4.0.0^{26}]trideca-1(9)35712-pentaen-10-one
SMILES
CCc1nn2c(C=CN(c3cc(C(C)=O)ccc3)C3=O)c3nnc2n1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
334.34
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
2.051
Distribution Coefficient, logD
2.051
Water Solubility, LogSw
-2.41
Polar Surface Area
78.925
Acid Dissociation Constant (pKa)
21.69
Base Dissociation Constant (pKb)
1.81
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
17.60
Y020-9728 in Drug Discovery
Included in Screening Libraries
Anti-Inflammatory Library (24602 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
RNA-Protein Interaction Inhibitors Library (1986 compounds)
Epitranscriptome Focused Small Molecule Library (20952 compounds)
Included in 1.7M Stock Database
- Immune system
- Nervous system
- Hemic and lymphatic
- Congenital
- Metabolic
- Epigenetic
References: we are preparing a list of scientific research reports with Y020-9728 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)