MCULE-3371744018
- InChIKey:
- SMILES:
- InChI:
- Formula:
Amount | Price
Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
|
Guaranteed purity (%) | Delivery time
Estimated door-to-door delivery time for EU and US customers. It will be refined and optimized during quote generation after the shipping country is specified.
|
|
---|---|---|---|---|
1 mg | 6 USD | N/A | 9 working days | Get Quote |
5 mg | 6 USD | N/A | 9 working days | Get Quote |
10 mg | 6 USD | N/A | 9 working days | Get Quote |
- 1-Click Docking Predict the binding orientation and affinity of the ligand to a target.
- Toxicity checker Searching for substructures commonly found in toxic and promiscuous ligands.
- Property calculator Create a physicochemical property profile for the compound in a second.
- Similarity search Find analogs by similarity search.
- Substructure search Find analogs by substructure search.
-
MCULE-6159781930
- Component type: Main
Name | File |
---|---|
SDF | MCULE-3371744018.sdf |
SMILES | MCULE-3371744018.smiles |
Standard InChI | MCULE-3371744018.inchi |
InChIKey | MCULE-3371744018.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867601782 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
P-875759466 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-580247579 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
P-606875224 | AmBeed | In stock | N/A | As is | in stock |
P-596959470 | Angene | Building Blocks in stock | 99 | As is | 2 kg |
P-580195855 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
P-864181647 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-893230794 | Biosynth | In Stock | 95 | As is | in stock |
P-893230538 | Biosynth | In Stock | 95 | As is | in stock |
P-492244003 | Innovapharm | Building Blocks | 95 | As is | in stock |
P-14001557 | InterBioScreen | Natural Compounds | 92 | As is | 300 mg |
P-445353655 | Pharmeks LLC | Natural & unique compounds | 92 | As is | 300 mg |
P-892214938 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
P-892287286 | TargetMol | In Stock BB | 95 | As is | 796 mg |
P-892311221 | TargetMol | Screening Compounds - stock amount | 95 | As is | 796 mg |
P-611530586 | Toronto Research | In stock | 90 | As is | in stock |
P-893236789 | Biosynth | In Stock | 95 | As a main component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 307.326 |
logP | -0.724 |
H-bond acceptors | 9 |
H-bond donors | 5 |
Rotatable bonds | 11 |
PSA | 197.62 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 70.3674 |
Atoms | 37 |
Rings | 0 |
Heavy atoms | 20 |
Hydrogen atoms | 17 |
Heteroatoms | 10 |
N/O atoms | 9 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 2 |
R/S chiral centers | 2 |
Unknown chiral centers | 0 |
Undefined chiral centers | 0 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |