S553-0148 Screening compound: 6-methyl-4-oxo-4H,5H-[1,2,3]triazolo[1,5-a]pyrazine-3-carboxylic acid
Chemical Structure Depiction of ChemDiv screening compound S553-0148
6-methyl-4-oxo-4H,5H-[1,2,3]triazolo[1,5-a]pyrazine-3-carboxylic acid
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
S553-0148
Molecular Formula
C7H6N4O3 (C7 H6 N4 O3)
Compound Name
6-methyl-4-oxo-4H,5H-[1,2,3]triazolo[1,5-a]pyrazine-3-carboxylic acid
IUPAC name
6-methyl-4-oxo-4H5H-[123]triazolo[15-a]pyrazine-3-carboxylic acid
SMILES
CC(N1)=Cn2nnc(C(O)=O)c2C1=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
194.15
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
1.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
-1.332
Distribution Coefficient, logD
-7.258
Water Solubility, LogSw
-1.27
Polar Surface Area
78.966
Acid Dissociation Constant (pKa)
1.47
Base Dissociation Constant (pKb)
-1.04
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
14.30
S553-0148 in Drug Discovery
Included in Screening Libraries
Fragments Library (11262 compounds)
RNA-Protein Interaction Inhibitors Library (1986 compounds)
Included in 1.7M Stock Database
- Fragments
References: we are preparing a list of scientific research reports with S553-0148 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)