MCULE-2381062967
- 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 | 9 USD | 98 | 14 working days | Get Quote |
| 5 mg | 9 USD | 98 | 14 working days | Get Quote |
| 10 mg | 9 USD | 98 | 14 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-2381062967.sdf |
| SMILES | MCULE-2381062967.smiles |
| Standard InChI | MCULE-2381062967.inchi |
| InChIKey | MCULE-2381062967.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867577132 | 98 | As is | in stock |
| P-875737542 | N/A | As is | in stock |
| P-869194402 | 95 | As is | in stock |
| P-505351002 | 98 | As is | in stock |
| P-903067721 | 98 | As is | 75 g |
| P-868819205 | N/A | As is | in stock |
| P-597009391 | 98 | As is | 75 g |
| P-864177850 | 95 | As is | in stock |
| P-893238178 | 95 | As is | in stock |
| P-851305458 | 95 | As is | by synthesis |
| P-868577508 | 96 | As is | in stock |
| P-580292539 | N/A | As is | by resynthesis (? - ? days) |
| P-500252741 | N/A | As is | in stock |
| P-18798243 | 95 | As is | 6.692 g |
| P-454381072 | 95 | As is | 100 g |
| P-31150718 | 90 | As is | 500 mg |
| P-580489949 | N/A | As is | by synthesis |
| P-852413495 | N/A | As is | in stock |
| P-854830694 | 95 | As is | by synthesis |
| P-500374218 | 98 | As is | by synthesis |
| P-889885525 | 95 | As is | by synthesis |
| P-502392321 | 90 | As is | in stock |
| P-480866738 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 156.161 |
| logP | 1.0154 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 82.61 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 36.2853 |
| Atoms | 14 |
| Rings | 1 |
| Heavy atoms | 10 |
| Hydrogen atoms | 4 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| 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 |

