Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8702250329
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 | 12 USD | N/A | 9 working days | Get Quote |
| 5 mg | 15 USD | N/A | 9 working days | Get Quote |
| 10 mg | 17 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-3431499575
- Component type: Main
-
1
MCULE-5726619687
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8702250329.sdf |
| SMILES | MCULE-8702250329.smiles |
| Standard InChI | MCULE-8702250329.inchi |
| InChIKey | MCULE-8702250329.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875816783 | N/A | As is | in stock |
| P-903179918 | 98 | As is | 30 g |
| P-860055727 | 98 | As is | by synthesis |
| P-892407932 | 98 | As is | by synthesis |
| P-851281512 | 95 | As is | by synthesis |
| P-887967468 | 98 | As is | in stock |
| P-579480348 | 95 | As is | in stock |
| P-854721322 | 95 | As is | in stock |
| P-474027438 | 95 | As is | in stock |
| P-619673786 | 98 | As is | in stock |
| P-906837331 | 97 | As is | by synthesis |
| P-875792890 | N/A | Main component | in stock |
| P-903143947 | 98 | Main component | 25 g |
| P-489237424 | 97 | Main component | in stock |
| P-617552287 | 95 | Main component | by synthesis |
| P-580719287 | 98 | Main component | 27.844 g |
| P-851239669 | 95 | Main component | by synthesis |
| P-868622352 | 97 | Main component | in stock |
| P-579479223 | 95 | Main component | in stock |
| P-579627446 | 97 | Main component | unavailable |
| P-852519343 | N/A | Main component | in stock |
| P-854715578 | 95 | Main component | in stock |
| P-474027435 | 95 | Main component | in stock |
| P-878642657 | 98 | Main component | in stock |
| P-1263958002 | 90 | Main component | in stock |
| P-906839068 | 97 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 494.452 |
| logP | 2.6271 |
| H-bond acceptors | 10 |
| H-bond donors | 6 |
| Rotatable bonds | 6 |
| PSA | 164.8 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 132.3705 |
| Atoms | 62 |
| Rings | 4 |
| Heavy atoms | 34 |
| Hydrogen atoms | 28 |
| Heteroatoms | 12 |
| N/O atoms | 10 |
| 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 | 1 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
