MCULE-8449735069
- 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 | 34 USD | 90 | 19 working days | Get Quote |
5 mg | 40 USD | N/A | 9 working days | Get Quote |
10 mg | 40 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.
-
1
MCULE-6083319263
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-8449735069.sdf |
SMILES | MCULE-8449735069.smiles |
Standard InChI | MCULE-8449735069.inchi |
InChIKey | MCULE-8449735069.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-619313857 | ChemDiv | Discovery Chemistry Library | 90 | As is | 11 mg |
P-34685418 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
P-873212941 | TimTec | Building Block Collection | 90 | As is | in stock |
P-860635381 | A2B Chem | Predominantly Building Block on demand | N/A | Main component | by synthesis |
P-612937043 | AK Scientific | Building Blocks | 95 | Main component | in stock |
P-596429077 | Asinex | General screening catalog | 90 | Main component | 1000 mg |
P-596494295 | Asinex | General bb catalog | 90 | Main component | 1000 mg |
P-596589312 | Key Organics | Building Blocks | 90 | Main component | 500 mg |
P-588250647 | Manchester Organics | Compounds on demand | N/A | Main component | by synthesis |
P-852382978 | Matrix Scientific | All | N/A | Main component | in stock |
P-864016029 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
P-19379329 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
P-885524746 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component | by synthesis |
P-855230078 | Toronto Research | In stock | 90 | Main component | in stock |
P-3231016 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | Main component | 2.644 g |
P-1402570 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component | 2.644 g |
P-867670497 | A2B Chem | Predominantly Building Block in stock | 95 | Main component as a main component | in stock |
P-875844459 | AA Blocks | AA Blocks - in stock | N/A | Main component as a main component | in stock |
P-868569978 | Combi-Blocks | Building Block in stock | 95 | Main component as a main component | in stock |
P-862059551 | FluoroChem | General BB | 95 | Main component as a main component | in stock |
P-855951921 | Key Organics | Building Blocks | 95 | Main component as a main component | 1000 mg |
P-611482382 | Toronto Research | In stock | 90 | Main component as a main component | in stock |
P-893663931 | eNovation Chemicals LLC | Building Block on demand | 95 | Main component as a main component | by synthesis |
Property | Value |
---|---|
Components | 2 |
Mass | 308.801 |
logP | 3.624 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 7 |
PSA | 43.38 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 86.0547 |
Atoms | 42 |
Rings | 2 |
Heavy atoms | 21 |
Hydrogen atoms | 21 |
Heteroatoms | 5 |
N/O atoms | 4 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
Chiral centers | 0 |
R/S chiral centers | 0 |
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 |