Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6845641116-0
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 | 5 USD | 97 | 8 working days | Get Quote |
| 5 mg | 5 USD | 97 | 8 working days | Get Quote |
| 10 mg | 5 USD | 97 | 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-6845641116-0.sdf |
| SMILES | MCULE-6845641116-0.smiles |
| Standard InChI | MCULE-6845641116-0.inchi |
| InChIKey | MCULE-6845641116-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-893184584 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-867581447 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
| P-875740345 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869191376 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-505353954 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-34884565 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-436474130 | Alinda | Building Blocks | 95 | As is | 49 g |
| P-617061388 | Allbio Pharm | In stock | N/A | As is | in stock |
| P-606885777 | AmBeed | In stock | N/A | As is | in stock |
| P-489190931 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596952681 | Angene | Building Blocks in stock | 97 | As is | 5.5 kg |
| P-895931303 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-895932329 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-864163978 | AstaTech | In Stock BBs | 98 | As is | in stock |
| P-481173281 | Atlantic Research Chemicals Ltd | In-stock Building Blocks | 95 | As is | 940 g |
| P-580704447 | BLD pharm | In-stock building blocks | 97 | As is | 272 g |
| P-893221559 | Biosynth | In Stock | 95 | As is | in stock |
| P-454735208 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-851278896 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-868578329 | Combi-Blocks | Building Block in stock | 97 | As is | in stock |
| P-861971352 | FluoroChem | General BB | 95 | As is | in stock |
| P-870659556 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
| P-505516487 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-890851070 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-524163785 | Key Organics | Building Blocks | 98 | As is | 9.999 g |
| P-856005763 | Key Organics | Screening Compounds and Fragments | 98 | As is | 9.999 g |
| P-579622256 | LabSeeker, Inc | Stock Collection | 95 | As is | in stock |
| P-31168627 | LaboTest | Screening Collection | 90 | As is | 10 g |
| P-613281200 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
| P-580513492 | Manchester Organics | Stock compounds | 98 | As is | 1.64 kg |
| P-852426717 | Matrix Scientific | All | N/A | As is | in stock |
| P-428001884 | Maybridge | Screening Collection | 90 | As is | 1868.1 kg |
| P-863695048 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
| P-872670310 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-881187776 | Otava | In-House Stock Library | 90 | As is | 39 mg |
| P-19648068 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-885522915 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-892261885 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-892343289 | TargetMol | Screening Compounds - stock amount | 95 | As is | unavailable |
| P-502363157 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-888439053 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-611363014 | Toronto Research | In stock | 90 | As is | in stock |
| P-854969523 | Toronto Research | In stock | 90 | As is | in stock |
| P-3219426 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.908 g |
| P-2255866 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.908 g |
| P-615398567 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 285.732 |
| logP | 3.3604 |
| H-bond acceptors | 7 |
| H-bond donors | 3 |
| Rotatable bonds | 2 |
| PSA | 163.1 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 57.8452 |
| Atoms | 24 |
| Rings | 1 |
| Heavy atoms | 16 |
| Hydrogen atoms | 8 |
| Heteroatoms | 10 |
| N/O atoms | 7 |
| 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 |
