Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2833970551
Compound
Show structure
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 | 113 USD | 90 | 30 working days | Get Quote |
| 5 mg | 117 USD | 97 | 9 working days | Get Quote |
| 10 mg | 117 USD | 97 | 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.
-
1
MCULE-5575070345
- Component type: Main
-
1
MCULE-6124492894
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2833970551.sdf |
| SMILES | MCULE-2833970551.smiles |
| Standard InChI | MCULE-2833970551.inchi |
| InChIKey | MCULE-2833970551.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-896121771 | 90 | As is | 11 mg |
| P-886570383 | 95 | Main component | in stock |
| P-1264903636 | 95 | Main component | by synthesis |
| P-1264522000 | 95 | Main component | 450 mg |
| P-1274436173 | 90 | Main component | 3.9 g |
| P-851395097 | N/A | Main component | by synthesis |
| P-1271916051 | 95 | Main component | 450 mg |
| P-1274834148 | 95 | Main component | by resynthesis (? - ? days) |
| P-905463989 | 95 | Main component | in stock |
| P-590723058 | 95 | Main component | by synthesis |
| P-1274899969 | 95 | Main component | by synthesis |
| P-1275231377 | N/A | Main component | 2 g |
| P-579523543 | 90 | Main component | 1 mg |
| P-890212342 | 90 | Main component | in stock |
| P-524175764 | 95 | Main component | unavailable |
| P-1274585300 | 95 | Main component | in stock |
| P-855052209 | 90 | Main component | in stock |
| P-1271615985 | 95 | Main component | in stock |
| P-886623492 | 97 | Main component as a main component | in stock |
| P-901274657 | 97 | Main component as a main component | in stock |
| P-869291248 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-613853030 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-903165775 | 95 | Main component as a main component | 2 g |
| P-881627781 | N/A | Main component as a main component | by synthesis |
| P-489201661 | 97 | Main component as a main component | in stock |
| P-1271964721 | 95 | Main component as a main component | 2 g |
| P-1274841595 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-1268693472 | 95 | Main component as a main component | in stock |
| P-890236587 | 95 | Main component as a main component | by synthesis |
| P-901418840 | 95 | Main component as a main component | by synthesis |
| P-861277419 | 95 | Main component as a main component | in stock |
| P-868647543 | 97 | Main component as a main component | in stock |
| P-1273109750 | 95 | Main component as a main component | 100 mg |
| P-613312484 | 95 | Main component as a main component | by synthesis |
| P-611460734 | 90 | Main component as a main component | in stock |
| P-611390107 | 90 | Main component as a main component | in stock |
| P-1271614534 | 95 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 290.198 |
| logP | 4.2086 |
| H-bond acceptors | 1 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 12.03 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 80.3097 |
| Atoms | 33 |
| Rings | 3 |
| Heavy atoms | 17 |
| Hydrogen atoms | 16 |
| Heteroatoms | 2 |
| N/O atoms | 1 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
