MCULE-2412557297
- 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 | 47 USD | 90 | 8 working days | Get Quote |
| 5 mg | 80 USD | 90 | 21 working days | Get Quote |
| 10 mg | 92 USD | 95 | 21 working days | Get Quote |
- 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-2412557297.sdf |
| SMILES | MCULE-2412557297.smiles |
| Standard InChI | MCULE-2412557297.inchi |
| InChIKey | MCULE-2412557297.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-3433678 | 90 | As is | 25 mg |
| P-12905772 | 90 | As is | 1.105 g |
| P-492284410 | 95 | As is | 1.105 g |
| P-23544227 | 90 | As is | 12 mg |
| P-502339088 | 90 | As is | in stock |
| P-22515733 | 90 | As is | 214 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 250.323 |
| logP | 2.5293 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 6 |
| PSA | 102.12 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 68.1351 |
| Atoms | 31 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 14 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |

