Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9084939939-0
Structure
Show compound
In order to add this molecule to a collection you have to create an account.
Sign up for free
- 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 | 38 USD | 97 | 16 working days | Get Quote |
| 5 mg | 38 USD | 97 | 16 working days | Get Quote |
| 10 mg | 38 USD | 97 | 16 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 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-3901335091-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9084939939-0.sdf |
| SMILES | MCULE-9084939939-0.smiles |
| Standard InChI | MCULE-9084939939-0.inchi |
| InChIKey | MCULE-9084939939-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867605696 | A2B Chem | Predominantly Building Block in stock | 97 | Main component | in stock |
| P-875764040 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
| P-505347030 | AK Scientific | Building Blocks | 98 | Main component | in stock |
| P-489114868 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | Main component | in stock |
| P-597010264 | Angene | Building Blocks in stock | 95 | Main component | 1000 mg |
| P-873287133 | AstaTech | In Stock BBs | 95 | Main component | in stock |
| P-878239920 | CHESS Chem | All products | 98 | Main component | in stock |
| P-868554531 | Combi-Blocks | Building Block in stock | 98 | Main component | in stock |
| P-580421032 | Debye Scientific | General Catalog | 95 | Main component | by resynthesis (? - ? days) |
| P-504609306 | Innovapharm | Virtual Screening Compounds | 90 | Main component | by synthesis |
| P-579629120 | LabSeeker, Inc | Stock Collection | 95 | Main component | in stock |
| P-854788524 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
| P-502395131 | TimTec | Building Block Collection | 90 | Main component | in stock |
| P-855057957 | Toronto Research | In stock | 90 | Main component | in stock |
| P-588735930 | VITAS M CHEMICAL LIMITED | Virtual synthesis library | N/A | Main component | by synthesis |
| P-615421230 | eNovation Chemicals LLC | Building Blocks in stock | 98 | Main component | in stock |
| P-867681417 | A2B Chem | Predominantly Building Block in stock | 98 | Main component as a main component | in stock |
| P-875858321 | AA Blocks | AA Blocks - in stock | N/A | Main component as a main component | in stock |
| P-864130917 | AstaTech | In Stock BBs | 95 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 216.681 |
| logP | 2.4311 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 15.27 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 64.7237 |
| Atoms | 28 |
| Rings | 2 |
| Heavy atoms | 14 |
| Hydrogen atoms | 14 |
| Heteroatoms | 4 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
