Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1701649963-0
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 | 6 USD | N/A | 9 working days | Get Quote |
| 5 mg | 6 USD | N/A | 9 working days | Get Quote |
| 10 mg | 6 USD | N/A | 9 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-1701649963-0.sdf |
| SMILES | MCULE-1701649963-0.smiles |
| Standard InChI | MCULE-1701649963-0.inchi |
| InChIKey | MCULE-1701649963-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867564385 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
| P-875723745 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-505347879 | AK Scientific | Building Blocks | 99 | As is | in stock |
| P-606856249 | AmBeed | In stock | N/A | As is | in stock |
| P-596928580 | Angene | Building Blocks in stock | 95 | As is | 16.1765 kg |
| P-589653559 | Apollo Scientific | In Stock | 95 | As is | 800 g |
| P-864184306 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-580722550 | BLD pharm | In-stock building blocks | 97 | As is | 3.375 kg |
| P-454640410 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-619825634 | ChemDiv | Discovery Chemistry Library | 90 | As is | 20 mg |
| P-868576580 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-580272911 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-494299657 | Frinton Laboratories | Frinton Building Blocks | 98 | As is | in stock |
| P-870662958 | Glentham Life Sciences | Compounds maintained in stock | 98 | As is | in stock |
| P-505492902 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-488545815 | InterBioScreen | Building Blocks | 90 | As is | in stock |
| P-12717542 | InterBioScreen | Screening Compounds | 92 | As is | unavailable |
| P-454392513 | Key Organics | Building Blocks | 95 | As is | 500 g |
| P-454300348 | Key Organics | Screening Compounds and Fragments | 95 | As is | 100 mg |
| P-31129482 | LaboTest | Screening Collection | 90 | As is | 1000 mg |
| P-856042159 | LaboTest | Building Blocks | 90 | As is | 1000 mg |
| P-613282116 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
| P-852494965 | Matrix Scientific | All | N/A | As is | in stock |
| P-428093067 | Maybridge | Screening Collection | 90 | As is | 13.049 kg |
| P-26434903 | Otava | In-House Stock Library | 90 | As is | 3 g |
| P-617693273 | Otava | Chemical Building Blocks for Prompt Delivery | 90 | As is | 3 g |
| P-454365951 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
| P-23801790 | Pharmeks LLC | Synthetic compounds | 92 | As is | 241 mg |
| P-500404281 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-19090042 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-22824104 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-502331767 | TimTec | Building Block Collection | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 133.201 |
| logP | 0.9902 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 0 |
| PSA | 118.84 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 31.5654 |
| Atoms | 10 |
| Rings | 1 |
| Heavy atoms | 7 |
| Hydrogen atoms | 3 |
| Heteroatoms | 5 |
| N/O atoms | 3 |
| 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 |
