MCULE-8295114193
- 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 | 40 USD | 90 | 22 working days | Get Quote |
| 5 mg | 40 USD | N/A | 9 working days | Get Quote |
| 10 mg | 40 USD | N/A | 9 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-9254901358
- Component type: Main
-
MCULE-1190378987
- Component type: Main
-
MCULE-5046325124
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-8295114193.sdf |
| SMILES | MCULE-8295114193.smiles |
| Standard InChI | MCULE-8295114193.inchi |
| InChIKey | MCULE-8295114193.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-860638161 | N/A | As is | by synthesis |
| P-894647922 | 95 | As is | in stock |
| P-903143222 | 95 | As is | 1000 mg |
| P-851762597 | N/A | As is | by synthesis |
| P-596493633 | 90 | As is | unavailable |
| P-590961062 | 97 | As is | by synthesis |
| P-588251449 | N/A | As is | by synthesis |
| P-852600675 | N/A | As is | in stock |
| P-864018567 | 95 | As is | by synthesis |
| P-12517951 | 90 | As is | 216 mg |
| P-855229710 | 90 | As is | in stock |
| P-867670272 | 95 | As a main component | in stock |
| P-867458845 | N/A | As a main component | by synthesis |
| P-867461311 | N/A | As a main component | by synthesis |
| P-875844426 | N/A | As a main component | in stock |
| P-615710683 | 95 | As a main component | in stock |
| P-904606075 | 95 | As a main component | in stock |
| P-612939219 | 95 | As a main component | in stock |
| P-851635849 | N/A | As a main component | by synthesis |
| P-892488616 | 90 | As a main component | 1000 mg |
| P-611091587 | 95 | As a main component | by synthesis |
| P-674220397 | 90 | As a main component | 22 mg |
| P-861375422 | 95 | As a main component | by synthesis |
| P-34793902 | 90 | As a main component | by synthesis |
| P-855951888 | 95 | As a main component | 5 g |
| P-852383535 | N/A | As a main component | in stock |
| P-852401936 | N/A | As a main component | in stock |
| P-895688745 | 95 | As a main component | by synthesis |
| P-873214884 | 90 | As a main component | in stock |
| P-903639315 | 94 | As a main component | by resynthesis (? - ? days) |
| P-875268807 | 90 | As a main component | 5 mg |
| P-611486288 | 90 | As a main component | in stock |
| P-617711881 | 90 | As a main component | 6.138 g |
| P-617744243 | 90 | As a main component | 6.138 g |
| P-893662061 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 271.310 |
| logP | 3.1046 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 39.72 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 76.0587 |
| Atoms | 37 |
| Rings | 3 |
| Heavy atoms | 20 |
| Hydrogen atoms | 17 |
| 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 |

