Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8182779883
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 | 33 USD | 90 | 17 working days | Get Quote |
| 5 mg | 36 USD | 90 | 18 working days | Get Quote |
| 10 mg | 36 USD | 90 | 18 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-8182779883.sdf |
| SMILES | MCULE-8182779883.smiles |
| Standard InChI | MCULE-8182779883.inchi |
| InChIKey | MCULE-8182779883.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886579647 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-889912605 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
| P-613846724 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-580217717 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
| P-436459519 | Alinda | Building Blocks | 95 | As is | in stock |
| P-851592436 | AmBeed | On request | N/A | As is | by synthesis |
| P-596459028 | Asinex | General screening catalog | 90 | As is | unavailable |
| P-596517983 | Asinex | General bb catalog | 90 | As is | unavailable |
| P-889800044 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-590944144 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
| P-619928813 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
| P-577179077 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
| P-449229204 | ChemDiv | Discovery Chemistry Library | 90 | As is | 17 mg |
| P-861539932 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-862056239 | FluoroChem | General BB | N/A | As is | in stock |
| P-492228692 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-502937151 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-503865385 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| P-855973530 | Key Organics | Building Blocks | 95 | As is | 95 mg |
| P-870641387 | Key Organics | Screening Compounds and Fragments | 95 | As is | 95 mg |
| P-888159647 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
| P-852431334 | Matrix Scientific | All | N/A | As is | in stock |
| P-492278836 | Otava | Chemical Building Blocks for Prompt Delivery | 90 | As is | 1.038 g |
| P-12633165 | Otava | In-House Stock Library | 90 | As is | 1.038 g |
| P-18992285 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-22823203 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-502388439 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611610609 | Toronto Research | In stock | 90 | As is | in stock |
| P-1043895 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 236 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 228.631 |
| logP | 2.6767 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 74.92 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 59.3387 |
| Atoms | 24 |
| Rings | 1 |
| Heavy atoms | 15 |
| Hydrogen atoms | 9 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| 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 |
