Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7831813511
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 | 20 USD | 98 | 22 working days | Get Quote |
| 5 mg | 36 USD | 98 | 16 working days | Get Quote |
| 10 mg | 38 USD | 98 | 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.
| Name | File |
|---|---|
| SDF | MCULE-7831813511.sdf |
| SMILES | MCULE-7831813511.smiles |
| Standard InChI | MCULE-7831813511.inchi |
| InChIKey | MCULE-7831813511.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867616724 | 98 | As is | in stock |
| P-875777872 | 98 | As is | in stock |
| P-869217680 | 95 | As is | by resynthesis (? - ? days) |
| P-1264050247 | 98 | As is | in stock |
| P-904320451 | 90 | As is | 1.586 g |
| P-1270339895 | 98 | As is | in stock |
| P-606893055 | N/A | As is | in stock |
| P-865915980 | 98 | As is | 50 mg |
| P-1273265985 | 95 | As is | by resynthesis (? - ? days) |
| P-864184404 | 95 | As is | in stock |
| P-590628960 | 98 | As is | 68 mg |
| P-901532318 | 95 | As is | by synthesis |
| P-851241057 | 95 | As is | by synthesis |
| P-860799646 | 98 | As is | in stock |
| P-861379736 | 95 | As is | by synthesis |
| P-579480047 | 95 | As is | in stock |
| P-870659764 | N/A | As is | in stock |
| P-868079419 | 95 | As is | in stock |
| P-1273109933 | 97 | As is | 100 mg |
| P-854712418 | 95 | As is | in stock |
| P-474024414 | 95 | As is | in stock |
| P-608271827 | 98 | As is | in stock |
| P-491318706 | 95 | As is | by synthesis |
| P-885546099 | 95 | As is | by synthesis |
| P-906798049 | 98 | As is | by synthesis |
| P-855051295 | 90 | As is | in stock |
| P-1271669531 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 363.791 |
| logP | 5.3464 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 62.32 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 103.5537 |
| Atoms | 40 |
| Rings | 4 |
| Heavy atoms | 26 |
| Hydrogen atoms | 14 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
