MCULE-6938409962-0
- 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 | 49 USD | 90 | 21 working days | Get Quote |
| 5 mg | 79 USD | 90 | 21 working days | Get Quote |
| 10 mg | 94 USD | 90 | 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-6938409962-0.sdf |
| SMILES | MCULE-6938409962-0.smiles |
| Standard InChI | MCULE-6938409962-0.inchi |
| InChIKey | MCULE-6938409962-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886341818 | 90 | As is | by synthesis |
| P-1265468043 | 90 | As is | by synthesis |
| P-851438454 | N/A | As is | by synthesis |
| P-611045880 | 90 | As is | by synthesis |
| P-4033576 | 90 | As is | 100 mg |
| P-449469906 | 90 | As is | 117 mg |
| P-578193795 | 90 | As is | in stock |
| P-18817703 | 90 | As is | 1.397 g |
| P-14590334 | 90 | As is | 57 mg |
| P-895732025 | 95 | As is | by synthesis |
| P-12466820 | 90 | As is | 110 mg |
| P-19664895 | 90 | As is | in stock |
| P-33964326 | 90 | As is | in stock |
| P-903761454 | 94 | As is | by resynthesis (? - ? days) |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 294.347 |
| logP | 3.5755 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 49.41 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 93.3992 |
| Atoms | 40 |
| Rings | 3 |
| Heavy atoms | 22 |
| Hydrogen atoms | 18 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |

