Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2454267440
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 | 39 USD | 95 | 15 working days | Get Quote |
| 5 mg | 57 USD | 90 | 22 working days | Get Quote |
| 10 mg | 67 USD | 95 | 25 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-1288126710
- Component type: Main
-
1
MCULE-8917344355
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2454267440.sdf |
| SMILES | MCULE-2454267440.smiles |
| Standard InChI | MCULE-2454267440.inchi |
| InChIKey | MCULE-2454267440.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-901261647 | N/A | Main component | in stock |
| P-590385408 | 95 | Main component | in stock |
| P-903101278 | 95 | Main component | 1000 mg |
| P-851883223 | N/A | Main component | by synthesis |
| P-869786458 | 90 | Main component | 3 mg |
| P-905473180 | 95 | Main component | in stock |
| P-591032714 | 98 | Main component | by synthesis |
| P-901439445 | 95 | Main component | by synthesis |
| P-4807892 | 90 | Main component | 50 mg |
| P-577180498 | 90 | Main component | by synthesis |
| P-868631703 | 98 | Main component | in stock |
| P-502601294 | 90 | Main component | in stock |
| P-12635659 | 95 | Main component | 72 mg |
| P-855935395 | 97 | Main component | 1000 mg |
| P-613303146 | 95 | Main component | by synthesis |
| P-854833282 | 95 | Main component | by synthesis |
| P-12492642 | 90 | Main component | 50 mg |
| P-18836294 | 90 | Main component | in stock |
| P-22471304 | 90 | Main component | 44 mg |
| P-611436864 | 90 | Main component | in stock |
| P-1867252 | 90 | Main component | 9 mg |
| P-893701802 | 95 | Main component | by synthesis |
| P-619281659 | 90 | Main component as a main component | 3 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 455.352 |
| logP | 6.1352 |
| H-bond acceptors | 12 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 174.99 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 120.483 |
| Atoms | 47 |
| Rings | 4 |
| Heavy atoms | 33 |
| Hydrogen atoms | 14 |
| Heteroatoms | 13 |
| N/O atoms | 12 |
| 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 |
