Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1253920679-0
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 | 25 USD | 98 | 16 working days | Get Quote |
| 5 mg | 25 USD | 98 | 16 working days | Get Quote |
| 10 mg | 40 USD | 98 | 16 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.
| Name | File |
|---|---|
| SDF | MCULE-1253920679-0.sdf |
| SMILES | MCULE-1253920679-0.smiles |
| Standard InChI | MCULE-1253920679-0.inchi |
| InChIKey | MCULE-1253920679-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867605056 | 98 | As is | in stock |
| P-875763288 | 98 | As is | in stock |
| P-595214768 | 95 | As is | by resynthesis (? - ? days) |
| P-580195112 | 98 | As is | in stock |
| P-893608235 | 90 | As is | 10.666 g |
| P-1270385533 | 98 | As is | in stock |
| P-851926206 | N/A | As is | in stock |
| P-619154077 | 98 | As is | 25 mg |
| P-1273452131 | 95 | As is | by resynthesis (? - ? days) |
| P-864193692 | 95 | As is | in stock |
| P-860056234 | 98 | As is | by synthesis |
| P-881633868 | 98 | As is | in stock |
| P-851247414 | 95 | As is | by synthesis |
| P-861379830 | 95 | As is | by synthesis |
| P-579480886 | 95 | As is | in stock |
| P-901408730 | 98 | As is | 125 mg |
| P-492228990 | 95 | As is | in stock |
| P-502713633 | 90 | As is | in stock |
| P-1275312663 | 90 | As is | 1000 mg |
| P-1275292127 | 90 | As is | 1000 mg |
| P-1273109549 | 97 | As is | 100 mg |
| P-14083773 | 90 | As is | 3.526 g |
| P-1272596026 | 95 | As is | 50 mg |
| P-852506395 | 95 | As is | by synthesis |
| P-854720260 | 95 | As is | in stock |
| P-1263154770 | 95 | As is | by synthesis |
| P-584620030 | 95 | As is | in stock |
| P-608279670 | 98 | As is | in stock |
| P-34047224 | 90 | As is | 50 mg |
| P-579712179 | 98 | As is | in stock |
| P-892297361 | 95 | As is | unavailable |
| P-869162252 | 95 | As is | 100 mg |
| P-888657633 | 95 | As is | 100 mg |
| P-33803018 | 90 | As is | in stock |
| P-502388499 | 90 | As is | in stock |
| P-596714834 | 90 | As is | 20 mg |
| P-907244415 | 94 | As is | by resynthesis (? - ? days) |
| P-855051797 | 90 | As is | in stock |
| P-868510610 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 350.457 |
| logP | 6.2036 |
| H-bond acceptors | 2 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 91.06 |
| RO5 violations | 1 |
| RO3 violations | 3 |
| Refractivity | 103.656 |
| Atoms | 38 |
| Rings | 4 |
| Heavy atoms | 24 |
| Hydrogen atoms | 14 |
| Heteroatoms | 4 |
| N/O atoms | 2 |
| 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 |
