Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3401263131
Compound
Show structures
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 | N/A | 9 working days | Get Quote |
| 5 mg | 6 USD | N/A | 9 working days | Get Quote |
| 10 mg | 6 USD | N/A | 9 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-5219780101
- Component type: Main
-
1
MCULE-4408374633
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3401263131.sdf |
| SMILES | MCULE-3401263131.smiles |
| Standard InChI | MCULE-3401263131.inchi |
| InChIKey | MCULE-3401263131.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875729989 | N/A | As is | in stock |
| P-903059264 | 96 | As is | 275 g |
| P-489186594 | 97 | As is | in stock |
| P-580723027 | 98 | As is | 6.25 g |
| P-851259244 | 95 | As is | by synthesis |
| P-868622495 | 96 | As is | in stock |
| P-579480396 | 95 | As is | in stock |
| P-579628001 | 98 | As is | 100 g |
| P-852530456 | N/A | As is | in stock |
| P-896627749 | 95 | As is | by synthesis |
| P-854713487 | 95 | As is | in stock |
| P-474025271 | 95 | As is | in stock |
| P-875810852 | N/A | Main component | in stock |
| P-903170486 | 99 | Main component | 200 g |
| P-905486312 | 98 | Main component | 100 g |
| P-871220055 | N/A | Main component | by resynthesis (? - ? days) |
| P-881634029 | 98 | Main component | in stock |
| P-851239433 | 95 | Main component | by synthesis |
| P-889734435 | 95 | Main component | in stock |
| P-579478963 | 95 | Main component | in stock |
| P-579627168 | 98 | Main component | 25 g |
| P-852489949 | N/A | Main component | in stock |
| P-896627687 | 95 | Main component | by synthesis |
| P-854721026 | 95 | Main component | in stock |
| P-474025268 | 95 | Main component | in stock |
| P-608276468 | 98 | Main component | in stock |
| P-579717073 | N/A | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 649.758 |
| logP | 4.6776 |
| H-bond acceptors | 12 |
| H-bond donors | 3 |
| Rotatable bonds | 10 |
| PSA | 156.97 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 189.2657 |
| Atoms | 85 |
| Rings | 5 |
| Heavy atoms | 46 |
| Hydrogen atoms | 39 |
| Heteroatoms | 13 |
| N/O atoms | 12 |
| Inorganic atoms | 0 |
| 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 |
