Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9959917244
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 | 23 USD | 98 | 16 working days | Get Quote |
| 5 mg | 36 USD | 98 | 16 working days | Get Quote |
| 10 mg | 56 USD | 98 | 16 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.
| Name | File |
|---|---|
| SDF | MCULE-9959917244.sdf |
| SMILES | MCULE-9959917244.smiles |
| Standard InChI | MCULE-9959917244.inchi |
| InChIKey | MCULE-9959917244.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867555719 | 98 | As is | in stock |
| P-875714335 | N/A | As is | in stock |
| P-869304771 | 95 | As is | in stock |
| P-903042713 | 98 | As is | 500 mg |
| P-610989794 | 90 | As is | 17.463 g |
| P-606951492 | N/A | As is | in stock |
| P-596943277 | 98 | As is | 500 mg |
| P-864173694 | 98 | As is | in stock |
| P-580718157 | 99 | As is | 1.025 g |
| P-901462489 | 95 | As is | by synthesis |
| P-851314857 | 95 | As is | by synthesis |
| P-860800100 | 98 | As is | in stock |
| P-861349593 | 95 | As is | by synthesis |
| P-579481451 | 95 | As is | in stock |
| P-868079529 | 95 | As is | in stock |
| P-596583075 | 97 | As is | 50 mg |
| P-854711542 | 95 | As is | in stock |
| P-474025655 | 95 | As is | in stock |
| P-878640814 | 98 | As is | in stock |
| P-579713167 | N/A | As is | in stock |
| P-873282044 | N/A | As is | in stock |
| P-904084855 | 95 | As is | 3.96 g |
| P-869155731 | 95 | As is | by synthesis |
| P-892293555 | 95 | As is | unavailable |
| P-888652596 | 95 | As is | 100 mg |
| P-596714506 | 90 | As is | 5 mg |
| P-611413427 | 90 | As is | in stock |
| P-611488311 | 90 | As is | in stock |
| P-615449845 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 396.443 |
| logP | 4.2563 |
| H-bond acceptors | 9 |
| H-bond donors | 3 |
| Rotatable bonds | 7 |
| PSA | 124.28 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 112.1198 |
| Atoms | 53 |
| Rings | 3 |
| Heavy atoms | 29 |
| Hydrogen atoms | 24 |
| Heteroatoms | 9 |
| N/O atoms | 9 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
