Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8089467137-0
Structure
Show compound
In order to add this molecule to a collection you have to create an account.
Sign up for free
- 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 | 6 USD | N/A | 14 working days | Get Quote |
| 5 mg | 6 USD | N/A | 14 working days | Get Quote |
| 10 mg | 6 USD | N/A | 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.
-
1
MCULE-1895914136-0
- Component type: Main
-
1
MCULE-6124492894-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8089467137-0.sdf |
| SMILES | MCULE-8089467137-0.smiles |
| Standard InChI | MCULE-8089467137-0.inchi |
| InChIKey | MCULE-8089467137-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-890849519 | 95 | As is | in stock |
| P-31274799 | 90 | As is | 10 g |
| P-856043926 | 90 | As is | 10 g |
| P-867589559 | 98 | Main component as a main component | in stock |
| P-1266153099 | 80 | Main component as a main component | in stock |
| P-860622186 | 80 | Main component as a main component | by synthesis |
| P-1274671994 | N/A | Main component as a main component | by synthesis |
| P-875749163 | 98 | Main component as a main component | in stock |
| P-1265884784 | 80 | Main component as a main component | in stock |
| P-1275191115 | 98 | Main component as a main component | in stock |
| P-903080266 | N/A | Main component as a main component | 200 g |
| P-851954691 | N/A | Main component as a main component | in stock |
| P-489117952 | 97 | Main component as a main component | in stock |
| P-596984608 | N/A | Main component as a main component | unavailable |
| P-1274624550 | 80 | Main component as a main component | 2 g |
| P-1272004810 | 80 | Main component as a main component | 15 kg |
| P-1275495723 | 95 | Main component as a main component | 60 g |
| P-864188384 | 95 | Main component as a main component | in stock |
| P-893250540 | 95 | Main component as a main component | by synthesis |
| P-893223181 | 95 | Main component as a main component | in stock |
| P-868604180 | 98 | Main component as a main component | in stock |
| P-1263294635 | 95 | Main component as a main component | in stock |
| P-905411715 | 98 | Main component as a main component | 8.17215 kg |
| P-862027733 | N/A | Main component as a main component | 500 g |
| P-870662918 | 98 | Main component as a main component | in stock |
| P-890852296 | 90 | Main component as a main component | in stock |
| P-855934150 | 97 | Main component as a main component | 25 g |
| P-852465652 | 80 | Main component as a main component | by synthesis |
| P-899988949 | 95 | Main component as a main component | by synthesis |
| P-872677058 | 95 | Main component as a main component | in stock |
| P-881190231 | 90 | Main component as a main component | 50 mg |
| P-889865945 | 95 | Main component as a main component | by synthesis |
| P-1272897668 | 94 | Main component as a main component | by resynthesis (? - ? days) |
| P-906842184 | 80 | Main component as a main component | by synthesis |
| P-906878547 | 80 | Main component as a main component | by synthesis |
| P-855314695 | 90 | Main component as a main component | in stock |
| P-855104269 | 90 | Main component as a main component | in stock |
| P-854967596 | 90 | Main component as a main component | in stock |
| P-1271671451 | 95 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 412.490 |
| logP | 7.9222 |
| H-bond acceptors | 1 |
| H-bond donors | 0 |
| Rotatable bonds | 15 |
| PSA | 0.0 |
| RO5 violations | 1 |
| RO3 violations | 3 |
| Refractivity | 120.7334 |
| Atoms | 67 |
| Rings | 1 |
| Heavy atoms | 25 |
| Hydrogen atoms | 42 |
| Heteroatoms | 2 |
| N/O atoms | 1 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
