MCULE-3105746137
- 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 | 71 USD | 95 | 7 working days | Get Quote |
| 10 mg | 71 USD | 95 | 7 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-3105746137.sdf |
| SMILES | MCULE-3105746137.smiles |
| Standard InChI | MCULE-3105746137.inchi |
| InChIKey | MCULE-3105746137.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867642176 | 95 | As is | in stock |
| P-852092510 | N/A | As is | by synthesis |
| P-875784216 | N/A | As is | in stock |
| P-875808775 | N/A | As is | in stock |
| P-612938168 | 95 | As is | in stock |
| P-851417097 | N/A | As is | by synthesis |
| P-899918736 | N/A | As is | by synthesis |
| P-494411536 | 95 | As is | by resynthesis (? - ? days) |
| P-596345618 | 90 | As is | 1000 mg |
| P-596481218 | 90 | As is | 1000 mg |
| P-590745006 | 97 | As is | by synthesis |
| P-901868257 | 95 | As is | by synthesis |
| P-494302790 | 95 | As is | in stock |
| P-427955632 | 90 | As is | 5 mg |
| P-448702278 | 90 | As is | 16 mg |
| P-861484683 | 95 | As is | by synthesis |
| P-580441418 | 95 | As is | by resynthesis (? - ? days) |
| P-502548697 | 95 | As is | by synthesis |
| P-852383526 | N/A | As is | in stock |
| P-864019017 | 95 | As is | by synthesis |
| P-12297765 | 90 | As is | 27 mg |
| P-12961236 | 90 | As is | 100 mg |
| P-492285945 | 95 | As is | 100 mg |
| P-491114412 | 95 | As is | by synthesis |
| P-502348603 | 90 | As is | in stock |
| P-23297927 | 94 | As is | by resynthesis (? - ? days) |
| P-903664160 | 94 | As is | by resynthesis (? - ? days) |
| P-611603738 | 90 | As is | in stock |
| P-611603798 | 90 | As is | in stock |
| P-893811923 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 217.220 |
| logP | 1.7887 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 70.16 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 61.301 |
| Atoms | 27 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 11 |
| 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 |

