Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8594973072
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-8594973072.sdf |
| SMILES | MCULE-8594973072.smiles |
| Standard InChI | MCULE-8594973072.inchi |
| InChIKey | MCULE-8594973072.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867588846 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875748303 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869188066 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-505392094 | AK Scientific | Building Blocks | 99 | As is | in stock |
| P-425206236 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-34858992 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-606834801 | AmBeed | In stock | N/A | As is | in stock |
| P-596955493 | Angene | Building Blocks in stock | 98 | As is | 12.725 kg |
| P-864188281 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-584628210 | BLD pharm | In-stock building blocks | 98 | As is | 3.1 kg |
| P-4414476 | ChemBridge | EXPRESS-Pick Collection | 85 | As is | 100 mg |
| P-577134754 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
| P-448677920 | ChemDiv | Discovery Chemistry Library | 90 | As is | 908 mg |
| P-868627459 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-34740870 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
| P-862032810 | FluoroChem | General BB | N/A | As is | in stock |
| P-890208862 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As is | in stock |
| P-579510851 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | in stock |
| P-502951232 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-502448605 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-503471273 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| P-12353029 | InterBioScreen | Screening Compounds | 92 | As is | 209 mg |
| P-524165514 | Key Organics | Building Blocks | 99 | As is | 500 g |
| P-855992871 | Key Organics | Screening Compounds and Fragments | 99 | As is | 100 mg |
| P-613281385 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
| P-852510968 | Matrix Scientific | All | N/A | As is | in stock |
| P-854766192 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-621858921 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
| P-620224706 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 1000 mg |
| P-620070126 | Otava | In-House Stock Library | 90 | As is | 1000 mg |
| P-500404600 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-19554408 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-859980834 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-596782513 | Synthonix | In-stock Building Blocks | 98 | As is | 17.575 kg |
| P-502328899 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-22528482 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 100 mg |
| P-611419854 | Toronto Research | In stock | 90 | As is | in stock |
| P-1030915 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.05 g |
| P-666976217 | eNovation Chemicals LLC | Building Blocks in stock | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 207.225 |
| logP | 1.6858 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 55.4 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 57.0607 |
| Atoms | 28 |
| Rings | 1 |
| Heavy atoms | 15 |
| Hydrogen atoms | 13 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |
