Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6584046485
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 | 40 USD | 90 | 22 working days | Get Quote |
| 5 mg | 58 USD | 90 | 22 working days | Get Quote |
| 10 mg | 72 USD | 95 | 22 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-6584046485.sdf |
| SMILES | MCULE-6584046485.smiles |
| Standard InChI | MCULE-6584046485.inchi |
| InChIKey | MCULE-6584046485.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867610292 | A2B Chem | Predominantly Building Block in stock | N/A | As is | in stock |
| P-886657175 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-894627488 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-869242253 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-851457490 | AmBeed | On request | N/A | As is | by synthesis |
| P-904752755 | AmBeed | On request | N/A | As is | by synthesis |
| P-866729064 | Apollo Scientific | In Stock | 95 | As is | 16 g |
| P-889807876 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-901431652 | Biosynth | Synthesis | 95 | As is | by synthesis |
| P-5732222 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 10 mg |
| P-454757526 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-607762816 | ChemDiv | Discovery Chemistry Library | 90 | As is | 28 mg |
| P-34525823 | Crea-Chim | HTS compounds | 90 | As is | in stock |
| P-580777284 | Crea-Chim | Building Blocks | 90 | As is | by resynthesis (? - ? days) |
| P-580766600 | Crea-Chim | Prepacked BB compounds with prompt delivery | 90 | As is | in stock |
| P-503084688 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| P-502612455 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-492230169 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-855999291 | Key Organics | Screening Compounds and Fragments | 97 | As is | 100 mg |
| P-588712913 | Key Organics | Building Blocks | 97 | As is | 1000 mg |
| P-580507157 | Manchester Organics | Compounds on demand | 95 | As is | by synthesis |
| P-13129190 | Otava | In-House Stock Library | 90 | As is | 42 mg |
| P-491129432 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-23842302 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-22704165 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-502343215 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-907198565 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-1175885 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.039 g |
| P-596527980 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.039 g |
| P-893729366 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 214.165 |
| logP | 2.3858 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 46.53 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 49.7058 |
| Atoms | 23 |
| Rings | 1 |
| Heavy atoms | 15 |
| Hydrogen atoms | 8 |
| Heteroatoms | 5 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
