Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4987101325
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 | 6 USD | 95 | 14 working days | Get Quote |
| 5 mg | 6 USD | 95 | 14 working days | Get Quote |
| 10 mg | 6 USD | 95 | 14 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 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-3323633075
- Component type: Main
-
2
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4987101325.sdf |
| SMILES | MCULE-4987101325.smiles |
| Standard InChI | MCULE-4987101325.inchi |
| InChIKey | MCULE-4987101325.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-856006835 | 97 | As is | 100 mg |
| P-596581758 | 97 | As is | 25 g |
| P-885560498 | 95 | As is | by synthesis |
| P-892948285 | N/A | Main component | by synthesis |
| P-875744320 | N/A | Main component | in stock |
| P-874653346 | 97 | Main component | in stock |
| P-903074791 | 95 | Main component | 100 g |
| P-1264057502 | 95 | Main component | in stock |
| P-596954214 | 95 | Main component | 2.5 kg |
| P-901416281 | 95 | Main component | by synthesis |
| P-901416460 | 95 | Main component | by synthesis |
| P-4229950 | 90 | Main component | 10 mg |
| P-889349148 | 95 | Main component | 2.5 kg |
| P-500417276 | 99 | Main component | in stock |
| P-500417277 | 99 | Main component | in stock |
| P-596588508 | 90 | Main component | 5 g |
| P-579612731 | 95 | Main component | 1000 g |
| P-608270255 | 98 | Main component | in stock |
| P-885524259 | 95 | Main component | by synthesis |
| P-19626026 | 90 | Main component | in stock |
| P-873213965 | 90 | Main component | in stock |
| P-906904095 | 98 | Main component | in stock |
| P-906879286 | 80 | Main component | by synthesis |
| P-3001092 | 90 | Main component | 1.324 g |
| P-3229179 | 90 | Main component | 1.324 g |
| P-893146617 | N/A | Main component as a main component | by synthesis |
| P-1264058772 | 95 | Main component as a main component | in stock |
| P-489135943 | 97 | Main component as a main component | in stock |
| P-864196667 | 95 | Main component as a main component | in stock |
| P-893253241 | 95 | Main component as a main component | by synthesis |
| P-870653128 | N/A | Main component as a main component | in stock |
| P-870653129 | N/A | Main component as a main component | in stock |
| P-870653584 | N/A | Main component as a main component | in stock |
| P-855955082 | 97 | Main component as a main component | 25 g |
| P-878208970 | 95 | Main component as a main component | 10 mg |
| P-31256947 | 90 | Main component as a main component | unavailable |
| P-885549923 | 95 | Main component as a main component | by synthesis |
| P-906904292 | 98 | Main component as a main component | in stock |
| P-906775393 | 98 | Main component as a main component | by synthesis |
| P-906839026 | 98 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 367.309 |
| logP | 4.7065 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 36.36 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 107.1728 |
| Atoms | 48 |
| Rings | 4 |
| Heavy atoms | 24 |
| Hydrogen atoms | 24 |
| Heteroatoms | 5 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 4 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 4 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
