MCULE-9884468160-0
- 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 | 35 USD | 90 | 17 working days | Get Quote |
5 mg | 35 USD | 90 | 17 working days | Get Quote |
10 mg | 41 USD | 90 | 17 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-4894388891-0
- Component type: Main
-
MCULE-2293184945-0
- Component type: Main
Name | File |
---|---|
SDF | MCULE-9884468160-0.sdf |
SMILES | MCULE-9884468160-0.smiles |
Standard InChI | MCULE-9884468160-0.inchi |
InChIKey | MCULE-9884468160-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-19914569 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
P-851669739 | AmBeed | On request | N/A | As is | by synthesis |
P-591094947 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-852596647 | Matrix Scientific | All | N/A | As is | in stock |
P-854936729 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-873221498 | TimTec | Building Block Collection | 90 | As is | in stock |
P-888577833 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
P-611392140 | Toronto Research | In stock | 90 | As is | in stock |
P-872828638 | A2B Chem | Predominantly Building Block in stock | 95 | As a main component | in stock |
P-867371593 | A2B Chem | Predominantly Building Block on demand | N/A | As a main component | by synthesis |
P-674961999 | A2B Chem | Predominantly Building Block on demand | N/A | As a main component | by synthesis |
P-875773871 | AA Blocks | AA Blocks - in stock | N/A | As a main component | in stock |
P-584598453 | Alinda | Building Blocks | 95 | As a main component | 2 g |
P-851651650 | AmBeed | On request | N/A | As a main component | by synthesis |
P-851733754 | AmBeed | On request | N/A | As a main component | by synthesis |
P-590966171 | BLD pharm | Non-stock building blocks | 97 | As a main component | by synthesis |
P-590919301 | BLD pharm | Non-stock building blocks | 97 | As a main component | by synthesis |
P-619933580 | ChemDiv | Building Blocks on demand | 90 | As a main component | by synthesis |
P-868631504 | Combi-Blocks | Building Block in stock | 95 | As a main component | in stock |
P-861998650 | FluoroChem | General BB | N/A | As a main component | in stock |
P-852428369 | Matrix Scientific | All | N/A | As a main component | in stock |
P-895453199 | MedChemExpress | Building Blocks on demand | 95 | As a main component | by synthesis |
P-895675135 | MedChemExpress | Building Blocks on demand | 95 | As a main component | by synthesis |
P-893680564 | eNovation Chemicals LLC | Building Block on demand | 95 | As a main component | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 208.275 |
logP | 2.387 |
H-bond acceptors | 2 |
H-bond donors | 1 |
Rotatable bonds | 2 |
PSA | 29.26 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 62.8054 |
Atoms | 32 |
Rings | 2 |
Heavy atoms | 15 |
Hydrogen atoms | 17 |
Heteroatoms | 3 |
N/O atoms | 2 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |