MCULE-8791613181
- 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 | 7 USD | 97 | 14 working days | Get Quote |
| 5 mg | 7 USD | 97 | 14 working days | Get Quote |
| 10 mg | 7 USD | 97 | 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-8791613181.sdf |
| SMILES | MCULE-8791613181.smiles |
| Standard InChI | MCULE-8791613181.inchi |
| InChIKey | MCULE-8791613181.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867568162 | 98 | As is | in stock |
| P-875728166 | N/A | As is | in stock |
| P-590380052 | 98 | As is | in stock |
| P-903057291 | 97 | As is | 2.5 kg |
| P-851634994 | N/A | As is | by synthesis |
| P-489152586 | 97 | As is | in stock |
| P-596982896 | 97 | As is | 2.5 kg |
| P-864203520 | 95 | As is | in stock |
| P-590850376 | 95 | As is | by synthesis |
| P-893247228 | 95 | As is | by synthesis |
| P-868618330 | 98 | As is | in stock |
| P-580306948 | 95 | As is | by resynthesis (? - ? days) |
| P-905317565 | 98 | As is | 23 g |
| P-502446102 | 95 | As is | by synthesis |
| P-502951363 | 90 | As is | in stock |
| P-492241733 | 95 | As is | in stock |
| P-870641342 | 97 | As is | unavailable |
| P-588709403 | 97 | As is | unavailable |
| P-579630006 | 95 | As is | by resynthesis (? - ? days) |
| P-31253021 | 90 | As is | unavailable |
| P-856041894 | 90 | As is | unavailable |
| P-613281969 | 95 | As is | by synthesis |
| P-860791626 | N/A | As is | by synthesis |
| P-852426119 | N/A | As is | in stock |
| P-428001574 | 95 | As is | 3.733 kg |
| P-872785959 | 95 | As is | by synthesis |
| P-423852730 | 90 | As is | 100 mg |
| P-617687783 | 95 | As is | 100 mg |
| P-519886454 | 90 | As is | in stock |
| P-502329490 | 90 | As is | in stock |
| P-906757745 | 98 | As is | by synthesis |
| P-855246850 | 90 | As is | in stock |
| P-615451080 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 146.189 |
| logP | 2.08518 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 35.82 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 45.1107 |
| Atoms | 21 |
| Rings | 1 |
| Heavy atoms | 11 |
| Hydrogen atoms | 10 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 |

