Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8864880612
Compound
Show structure
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 | 36 USD | 95 | 18 working days | Get Quote |
| 5 mg | 36 USD | 95 | 18 working days | Get Quote |
| 10 mg | 36 USD | 95 | 18 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.
| Name | File |
|---|---|
| SDF | MCULE-8864880612.sdf |
| SMILES | MCULE-8864880612.smiles |
| Standard InChI | MCULE-8864880612.inchi |
| InChIKey | MCULE-8864880612.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-852083446 | A2B Chem | Predominantly Building Block on demand | 97 | As is | by synthesis |
| P-875765506 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-580364114 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-889410210 | FluoroChem | General BB | N/A | As is | in stock |
| P-502471451 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-860787318 | Manchester Organics | Compounds on demand | 95 | As is | by synthesis |
| P-852380037 | Matrix Scientific | All | N/A | As is | in stock |
| P-869018785 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-12909227 | Otava | In-House Stock Library | 90 | As is | 4.479 g |
| P-492284462 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 4.479 g |
| P-502332789 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611452263 | Toronto Research | In stock | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 158.285 |
| logP | 2.1575 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 7 |
| PSA | 29.26 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 50.9804 |
| Atoms | 33 |
| Rings | 0 |
| Heavy atoms | 11 |
| Hydrogen atoms | 22 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
