Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1246105264
Compound
Show structures
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 | 23 USD | 95 | 24 working days | Get Quote |
| 5 mg | 23 USD | 95 | 24 working days | Get Quote |
| 10 mg | 23 USD | 95 | 24 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-1246105264.sdf |
| SMILES | MCULE-1246105264.smiles |
| Standard InChI | MCULE-1246105264.inchi |
| InChIKey | MCULE-1246105264.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-874652742 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-425134717 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-851826189 | AmBeed | On request | N/A | As is | by synthesis |
| P-611151246 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
| P-580759979 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
| P-500418030 | Glentham Life Sciences | Compounds maintained in stock | 98 | As is | in stock |
| P-427934671 | InterBioScreen | Natural Compounds | 92 | As is | 300 mg |
| P-596586849 | Key Organics | Building Blocks | 90 | As is | 1000 mg |
| P-864062615 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-650816212 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
| P-881189735 | Otava | In-House Stock Library | 90 | As is | 50 mg |
| P-26464308 | Otava | In-House Stock Library | 90 | As is | 50 mg |
| P-13841092 | Pharmeks LLC | Semi-natural compounds | 92 | As is | 300 mg |
| P-885523075 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-424824997 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-888438704 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-3222063 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 3.17 g |
| P-438842 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 3.17 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 244.205 |
| logP | -2.3112 |
| H-bond acceptors | 9 |
| H-bond donors | 4 |
| Rotatable bonds | 3 |
| PSA | 143.72 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 51.0633 |
| Atoms | 29 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 12 |
| Heteroatoms | 9 |
| N/O atoms | 9 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 4 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
