Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6952461288
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 | 17 USD | 97 | 22 working days | Get Quote |
| 5 mg | 17 USD | 97 | 22 working days | Get Quote |
| 10 mg | 17 USD | 97 | 22 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-6903330528
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-6952461288.sdf |
| SMILES | MCULE-6952461288.smiles |
| Standard InChI | MCULE-6952461288.inchi |
| InChIKey | MCULE-6952461288.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-489108636 | 97 | As is | in stock |
| P-855997747 | 95 | As is | 100 mg |
| P-454394883 | 95 | As is | 10 g |
| P-454394886 | 95 | As is | 10 g |
| P-885545537 | 95 | As is | by synthesis |
| P-906879352 | 99 | As is | by synthesis |
| P-867545962 | 97 | Main component | in stock |
| P-875703142 | 97 | Main component | in stock |
| P-505399453 | 95 | Main component | in stock |
| P-903027830 | 99 | Main component | 60 g |
| P-893567014 | 90 | Main component | 113 g |
| P-489224347 | 97 | Main component | in stock |
| P-596939700 | 99 | Main component | 60 g |
| P-494341487 | 95 | Main component | by resynthesis (? - ? days) |
| P-864161821 | 95 | Main component | in stock |
| P-868605276 | 97 | Main component | in stock |
| P-862029811 | 97 | Main component | 10 g |
| P-870646763 | N/A | Main component | in stock |
| P-870646764 | N/A | Main component | in stock |
| P-855997336 | 98 | Main component | 100 mg |
| P-870640165 | 97 | Main component | 100 mg |
| P-855992298 | 98 | Main component | 100 mg |
| P-524198818 | 98 | Main component | 25 g |
| P-524162768 | 98 | Main component | 100 g |
| P-596569816 | 97 | Main component | 25 g |
| P-615657012 | 95 | Main component | in stock |
| P-35239476 | 90 | Main component | unavailable |
| P-854796749 | 95 | Main component | by synthesis |
| P-885560096 | 95 | Main component | by synthesis |
| P-596709988 | 90 | Main component | 1000 mg |
| P-33163236 | 90 | Main component | 3 mg |
| P-906905566 | 98 | Main component | in stock |
| P-611384402 | 90 | Main component | in stock |
| P-893682525 | 95 | Main component | by synthesis |
| P-893937516 | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 251.707 |
| logP | 3.2965 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 63.32 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 69.9722 |
| Atoms | 31 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 14 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| 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 |
