Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1292315166-0
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 | 206 USD | 96 | 12 working days | Get Quote |
| 5 mg | 206 USD | 96 | 12 working days | Get Quote |
| 10 mg | 206 USD | 96 | 12 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-4056782827-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1292315166-0.sdf |
| SMILES | MCULE-1292315166-0.smiles |
| Standard InChI | MCULE-1292315166-0.inchi |
| InChIKey | MCULE-1292315166-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867617961 | 95 | As is | in stock |
| P-875779574 | 95 | As is | in stock |
| P-853435226 | 98 | As is | by resynthesis (? - ? days) |
| P-903123436 | 95 | As is | 5 g |
| P-904319239 | 90 | As is | 36.15 g |
| P-893300207 | 95 | As is | in stock |
| P-851856160 | N/A | As is | by synthesis |
| P-864149594 | 95 | As is | in stock |
| P-591118421 | 95 | As is | by synthesis |
| P-851293238 | 95 | As is | by synthesis |
| P-861352415 | 95 | As is | by synthesis |
| P-500156652 | 96 | As is | in stock |
| P-563526658 | 95 | As is | 250 mg |
| P-852554169 | N/A | As is | by synthesis |
| P-854793621 | 95 | As is | by synthesis |
| P-611533231 | 90 | As is | in stock |
| P-615463364 | 95 | As is | in stock |
| P-1270123272 | 95 | Main component | in stock |
| P-901272932 | 95 | Main component | in stock |
| P-615723915 | 98 | Main component | by resynthesis (? - ? days) |
| P-903155852 | 95 | Main component | 500 mg |
| P-1263864614 | 90 | Main component | 5.5 g |
| P-617059313 | 95 | Main component | by resynthesis (? - ? days) |
| P-851509384 | N/A | Main component | by synthesis |
| P-489107144 | 97 | Main component | in stock |
| P-900247453 | 95 | Main component | 500 mg |
| P-1274832322 | 95 | Main component | by resynthesis (? - ? days) |
| P-896023417 | 95 | Main component | in stock |
| P-590787390 | 95 | Main component | by synthesis |
| P-851259408 | 95 | Main component | by synthesis |
| P-861281800 | 97 | Main component | in stock |
| P-887106404 | 95 | Main component | in stock |
| P-580439496 | 95 | Main component | by resynthesis (? - ? days) |
| P-500156651 | 96 | Main component | in stock |
| P-856078860 | 95 | Main component | in stock |
| P-872871270 | 95 | Main component | by synthesis |
| P-852530564 | 95 | Main component | by synthesis |
| P-854885768 | 95 | Main component | by synthesis |
| P-873224502 | 90 | Main component | in stock |
| P-611390108 | 90 | Main component | in stock |
| P-667010906 | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 185.649 |
| logP | 1.954 |
| H-bond acceptors | 2 |
| H-bond donors | 2 |
| Rotatable bonds | 0 |
| PSA | 32.26 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 53.9105 |
| Atoms | 24 |
| Rings | 2 |
| Heavy atoms | 12 |
| Hydrogen atoms | 12 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| 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 |
