Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1587985152
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 | 64 USD | 95 | 10 working days | Get Quote |
| 5 mg | 80 USD | 95 | 10 working days | Get Quote |
| 10 mg | 110 USD | 95 | 10 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-1587985152.sdf |
| SMILES | MCULE-1587985152.smiles |
| Standard InChI | MCULE-1587985152.inchi |
| InChIKey | MCULE-1587985152.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-869280206 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-851883554 | AmBeed | On request | N/A | As is | by synthesis |
| P-888814907 | Angene | Building Blocks in stock | 97 | As is | 2 g |
| P-611148237 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
| P-889423916 | FluoroChem | General BB | N/A | As is | in stock |
| P-596585617 | Key Organics | Building Blocks | 95 | As is | 47.269 g |
| P-855989306 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
| P-596547840 | Key Organics | Screening Compounds and Fragments | 95 | As is | 47.269 g |
| P-852597335 | Matrix Scientific | All | N/A | As is | in stock |
| P-864074427 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-33375868 | TimTec | ActiMol 2 Week | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 116.158 |
| logP | 0.5462 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 29.46 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 31.0888 |
| Atoms | 20 |
| Rings | 1 |
| Heavy atoms | 8 |
| Hydrogen atoms | 12 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
