Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8596870381
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 | 45 USD | 90 | 23 working days | Get Quote |
| 5 mg | 52 USD | 95 | 27 working days | Get Quote |
| 10 mg | 52 USD | 95 | 27 working days | Get Quote |
New customers are eligible for 10% discount if indicated at the time of ordering.
- 1-Click Docking Predict the binding orientation and affinity of the ligand to a target.
- 1-Click Scaffold Hop Find novel active ligands structurally different from the ligand.
- 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-8596870381.sdf |
| SMILES | MCULE-8596870381.smiles |
| Standard InChI | MCULE-8596870381.inchi |
| InChIKey | MCULE-8596870381.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-875798501 | AA Blocks | AA Blocks | N/A | As is | in stock |
| P-612936401 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-610986892 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 10 g |
| P-580264471 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
| P-436469293 | Alinda | Building Blocks | 95 | As is | unavailable |
| P-596391230 | Asinex | General screening catalog | 90 | As is | 1000 mg |
| P-596513883 | Asinex | General bb catalog | 90 | As is | 1000 mg |
| P-864169262 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-454635420 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-851258886 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-868563245 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
| P-590341377 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | in stock |
| P-502466332 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-855985449 | Key Organics | Building Blocks | 95 | As is | 500 mg |
| P-619581450 | Life Chemicals | Screening Compounds | 90 | As is | 6.671 g |
| P-619585996 | Life Chemicals | Building Blocks | 95 | As is | 6.671 g |
| P-852401741 | Matrix Scientific | All | N/A | As is | in stock |
| P-854791074 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-620055564 | Otava | In-House Stock Library | 90 | As is | 1000 mg |
| P-620222270 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 1000 mg |
| P-613817309 | Spirochem | All | 95 | As is | in stock |
| P-502334255 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611577297 | Toronto Research | In stock | 90 | As is | in stock |
| P-588721511 | VITAS M CHEMICAL LIMITED | Virtual synthesis library | N/A | As is | by synthesis |
| P-580087823 | eNovation Chemicals LLC | Building Blocks in stock | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 175.654 |
| logP | 1.4216 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 20.31 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 50.263 |
| Atoms | 25 |
| Rings | 1 |
| Heavy atoms | 11 |
| Hydrogen atoms | 14 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| 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 |
