Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9964055894-0
Structure
Show compound
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 | 99 | 22 working days | Get Quote |
| 5 mg | 25 USD | 99 | 20 working days | Get Quote |
| 10 mg | 25 USD | 99 | 22 working days | Get Quote |
- 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-4783102620-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9964055894-0.sdf |
| SMILES | MCULE-9964055894-0.smiles |
| Standard InChI | MCULE-9964055894-0.inchi |
| InChIKey | MCULE-9964055894-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-893611806 | 90 | As is | 50 mg |
| P-1263683465 | N/A | As is | by synthesis |
| P-1275529805 | 95 | As is | by resynthesis (? - ? days) |
| P-1263338799 | 99 | As is | by synthesis |
| P-524440075 | 97 | As is | 48 mg |
| P-1275095176 | 95 | As is | by synthesis |
| P-867640112 | 99 | Main component | in stock |
| P-875806526 | 99 | Main component | in stock |
| P-1275163482 | 98 | Main component | in stock |
| P-580195401 | 98 | Main component | in stock |
| P-1264048909 | 95 | Main component | in stock |
| P-610989807 | 90 | Main component | 9.202 g |
| P-1270392261 | 99 | Main component | in stock |
| P-606835615 | N/A | Main component | in stock |
| P-489125492 | 97 | Main component | in stock |
| P-596968777 | 99 | Main component | 5 g |
| P-1273451283 | 95 | Main component | by resynthesis (? - ? days) |
| P-608426666 | 95 | Main component | 5 mg |
| P-889550435 | 95 | Main component | in stock |
| P-580726900 | 99 | Main component | 1.328 g |
| P-1275105874 | N/A | Main component | by resynthesis (? - ? days) |
| P-851268639 | 95 | Main component | by synthesis |
| P-860798792 | 98 | Main component | in stock |
| P-861351069 | 95 | Main component | by synthesis |
| P-579479620 | 95 | Main component | in stock |
| P-901411388 | 99 | Main component | 500 mg |
| P-868079550 | 95 | Main component | in stock |
| P-524439999 | 97 | Main component | unavailable |
| P-608121707 | 98 | Main component | in stock |
| P-904640900 | 95 | Main component | by synthesis |
| P-854713461 | 95 | Main component | in stock |
| P-474024593 | 95 | Main component | in stock |
| P-608276071 | 98 | Main component | in stock |
| P-579712274 | 98 | Main component | in stock |
| P-892291548 | 95 | Main component | unavailable |
| P-869127842 | 95 | Main component | 98 mg |
| P-888640775 | 95 | Main component | 98 mg |
| P-1271690686 | 99 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 419.918 |
| logP | 5.448 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 8 |
| PSA | 71.09 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 114.0224 |
| Atoms | 56 |
| Rings | 3 |
| Heavy atoms | 29 |
| Hydrogen atoms | 27 |
| Heteroatoms | 7 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
