Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5846620716
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 | 5 USD | 98 | 8 working days | Get Quote |
| 5 mg | 5 USD | 98 | 8 working days | Get Quote |
| 10 mg | 5 USD | 98 | 8 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-5846620716.sdf |
| SMILES | MCULE-5846620716.smiles |
| Standard InChI | MCULE-5846620716.inchi |
| InChIKey | MCULE-5846620716.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867572207 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875732783 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-590411963 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-606867567 | AmBeed | In stock | N/A | As is | in stock |
| P-489146833 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596950011 | Angene | Building Blocks in stock | 98 | As is | 269 g |
| P-895923275 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-864154955 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-584629498 | BLD pharm | In-stock building blocks | 98 | As is | 5 g |
| P-619929409 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
| P-868618260 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-580271664 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-862145544 | FluoroChem | General BB | 98 | As is | in stock |
| P-505545475 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-596567892 | Key Organics | Building Blocks | 97 | As is | 10 g |
| P-500388619 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-19555193 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-491470151 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-596749250 | Synthonix | In-stock Building Blocks | 98 | As is | 452 g |
| P-611384089 | Toronto Research | In stock | 90 | As is | in stock |
| P-2977570 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 2.977 g |
| P-615451565 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 290.180 |
| logP | 4.7258 |
| H-bond acceptors | 1 |
| H-bond donors | 0 |
| Rotatable bonds | 1 |
| PSA | 41.13 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 72.756 |
| Atoms | 24 |
| Rings | 3 |
| Heavy atoms | 16 |
| Hydrogen atoms | 8 |
| Heteroatoms | 3 |
| N/O atoms | 1 |
| 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 |
