Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3536869949
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 | 98 | 14 working days | Get Quote |
| 5 mg | 6 USD | 98 | 14 working days | Get Quote |
| 10 mg | 6 USD | 98 | 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-6245128109
- Component type: Main
-
1
MCULE-3833394421
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3536869949.sdf |
| SMILES | MCULE-3536869949.smiles |
| Standard InChI | MCULE-3536869949.inchi |
| InChIKey | MCULE-3536869949.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875772949 | N/A | As is | in stock |
| P-903114021 | 98 | As is | 500 mg |
| P-861315827 | 98 | As is | 1.35 g |
| P-889729576 | 95 | As is | by synthesis |
| P-854708262 | 95 | As is | by synthesis |
| P-906839762 | 98 | As is | by synthesis |
| P-875749327 | N/A | Main component | in stock |
| P-903170723 | 98 | Main component | 40 g |
| P-903080406 | 98 | Main component | 500 g |
| P-1264051326 | 95 | Main component | in stock |
| P-500415602 | 95 | Main component | by synthesis |
| P-580701093 | 99 | Main component | 141.1 g |
| P-611004466 | 99 | Main component | 2.775 g |
| P-505573005 | 98 | Main component | in stock |
| P-505604487 | 97 | Main component | by synthesis |
| P-851279943 | 95 | Main component | by synthesis |
| P-868592787 | 98 | Main component | in stock |
| P-579480182 | 95 | Main component | in stock |
| P-579476652 | 95 | Main component | in stock |
| P-579614503 | 98 | Main component | 5 kg |
| P-852445436 | N/A | Main component | in stock |
| P-899992156 | 95 | Main component | by synthesis |
| P-874446300 | 95 | Main component | in stock |
| P-854715151 | 95 | Main component | in stock |
| P-474027533 | 95 | Main component | in stock |
| P-608276725 | 98 | Main component | in stock |
| P-888170917 | 98 | Main component | by synthesis |
| P-1263956140 | 90 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 349.312 |
| logP | 1.7922 |
| H-bond acceptors | 6 |
| H-bond donors | 1 |
| Rotatable bonds | 7 |
| PSA | 87.69 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 88.3677 |
| Atoms | 41 |
| Rings | 2 |
| Heavy atoms | 25 |
| Hydrogen atoms | 16 |
| Heteroatoms | 7 |
| N/O atoms | 6 |
| Inorganic atoms | 1 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
