MCULE-7775446562
- 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 | 29 USD | 97 | 8 working days | Get Quote |
| 5 mg | 29 USD | 97 | 8 working days | Get Quote |
| 10 mg | 29 USD | 97 | 8 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.
-
MCULE-1977414863
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-7775446562.sdf |
| SMILES | MCULE-7775446562.smiles |
| Standard InChI | MCULE-7775446562.inchi |
| InChIKey | MCULE-7775446562.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867608131 | 95 | As is | in stock |
| P-875767060 | N/A | As is | in stock |
| P-869268357 | 95 | As is | in stock |
| P-903105035 | 95 | As is | 10 g |
| P-867710543 | N/A | As is | in stock |
| P-865913849 | 98 | As is | 10 g |
| P-494391784 | 95 | As is | by resynthesis (? - ? days) |
| P-864170038 | 95 | As is | in stock |
| P-861316082 | 97 | As is | 1.7 g |
| P-492253121 | 95 | As is | in stock |
| P-504641766 | 90 | As is | 5 mg |
| P-851241509 | 95 | As is | by synthesis |
| P-861272489 | 95 | As is | in stock |
| P-868554780 | 95 | As is | in stock |
| P-580406946 | 95 | As is | by resynthesis (? - ? days) |
| P-862039668 | 95 | As is | 5.83 g |
| P-579522453 | 90 | As is | 1 mg |
| P-890211287 | 90 | As is | in stock |
| P-502547664 | 95 | As is | by synthesis |
| P-524174945 | 95 | As is | unavailable |
| P-596548112 | 95 | As is | unavailable |
| P-579625031 | 95 | As is | 1000 mg |
| P-613278747 | 95 | As is | by synthesis |
| P-852520283 | N/A | As is | in stock |
| P-863703272 | 95 | As is | in stock |
| P-888866881 | N/A | As is | in stock |
| P-889863004 | 95 | As is | by synthesis |
| P-904101907 | 97 | As is | 39.99 g |
| P-611561306 | 90 | As is | in stock |
| P-893946961 | 95 | As is | in stock |
| P-893478299 | 90 | As a main component | 42.061 g |
| P-864252511 | 95 | As a main component | by synthesis |
| P-893776142 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 133.190 |
| logP | 2.0498 |
| H-bond acceptors | 1 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 12.03 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 45.6247 |
| Atoms | 21 |
| Rings | 2 |
| Heavy atoms | 10 |
| Hydrogen atoms | 11 |
| Heteroatoms | 1 |
| N/O atoms | 1 |
| 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 |

