Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9501514142
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 | 18 USD | 90 | 14 working days | Get Quote |
| 5 mg | 27 USD | 90 | 14 working days | Get Quote |
| 10 mg | 37 USD | 90 | 14 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-9501514142.sdf |
| SMILES | MCULE-9501514142.smiles |
| Standard InChI | MCULE-9501514142.inchi |
| InChIKey | MCULE-9501514142.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886118113 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-852130710 | A2B Chem | Predominantly Building Block on demand | 90 | As is | by synthesis |
| P-851487743 | AmBeed | On request | N/A | As is | by synthesis |
| P-869801945 | Asinex | General screening catalog | 90 | As is | 472 mg |
| P-4207573 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 50 mg |
| P-3356669 | ChemDiv | Discovery Chemistry Library | 90 | As is | 23 mg |
| P-889407081 | FluoroChem | General BB | N/A | As is | in stock |
| P-502596469 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-502501548 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-503472951 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| P-12376010 | InterBioScreen | Screening Compounds | 92 | As is | 183 mg |
| P-454398098 | Key Organics | Building Blocks | 90 | As is | 108 mg |
| P-18782939 | Key Organics | Screening Compounds and Fragments | 90 | As is | 108 mg |
| P-14189602 | Life Chemicals | Screening Compounds | 90 | As is | 5 mg |
| P-35180097 | Maybridge | Screening Collection | 90 | As is | 12.113 kg |
| P-579724200 | Menai Organics | Building blocks | 90 | As is | in stock |
| P-579726269 | Menai Organics | Screening compounds | 90 | As is | in stock |
| P-19010179 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-502370155 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-22469266 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 24 mg |
| P-855214270 | Toronto Research | In stock | 90 | As is | in stock |
| P-25056440 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 376 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 235.192 |
| logP | 1.0371 |
| H-bond acceptors | 6 |
| H-bond donors | 3 |
| Rotatable bonds | 5 |
| PSA | 103.7 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 58.6258 |
| Atoms | 26 |
| Rings | 1 |
| Heavy atoms | 17 |
| Hydrogen atoms | 9 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
