MCULE-1051367895
- 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 | 39 USD | 90 | 22 working days | Get Quote |
| 5 mg | 57 USD | 90 | 22 working days | Get Quote |
| 10 mg | 72 USD | 90 | 22 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-1051367895.sdf |
| SMILES | MCULE-1051367895.smiles |
| Standard InChI | MCULE-1051367895.inchi |
| InChIKey | MCULE-1051367895.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-852137680 | 95 | As is | by synthesis |
| P-889951429 | N/A | As is | by synthesis |
| P-904629675 | 95 | As is | in stock |
| P-851729240 | N/A | As is | by synthesis |
| P-901348401 | 95 | As is | by synthesis |
| P-591053682 | 95 | As is | by synthesis |
| P-504658693 | 85 | As is | 5 mg |
| P-454697823 | 90 | As is | in stock |
| P-436448572 | 95 | As is | 10 g |
| P-19948924 | 90 | As is | in stock |
| P-861532308 | 95 | As is | by synthesis |
| P-34455413 | 90 | As is | by synthesis |
| P-596590733 | 90 | As is | 5 g |
| P-852398677 | N/A | As is | in stock |
| P-895518570 | 95 | As is | by synthesis |
| P-885525766 | 95 | As is | by synthesis |
| P-23905458 | 90 | As is | in stock |
| P-22855784 | 90 | As is | in stock |
| P-888499152 | 94 | As is | by resynthesis (? - ? days) |
| P-855302303 | 90 | As is | in stock |
| P-25622709 | 90 | As is | 2.871 g |
| P-3235641 | 90 | As is | 2.871 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 277.320 |
| logP | 3.9049 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 68.01 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 83.0416 |
| Atoms | 36 |
| Rings | 3 |
| Heavy atoms | 21 |
| Hydrogen atoms | 15 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |

