Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8883526586-0
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 | 29 USD | 98 | 20 working days | Get Quote |
| 5 mg | 53 USD | 98 | 16 working days | Get Quote |
| 10 mg | 78 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-8883526586-0.sdf |
| SMILES | MCULE-8883526586-0.smiles |
| Standard InChI | MCULE-8883526586-0.inchi |
| InChIKey | MCULE-8883526586-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867606534 | N/A | As is | in stock |
| P-875764976 | 98 | As is | in stock |
| P-590374891 | 95 | As is | by resynthesis (? - ? days) |
| P-505401944 | 95 | As is | by resynthesis (? - ? days) |
| P-580193521 | 98 | As is | in stock |
| P-1264048071 | 100 | As is | in stock |
| P-893592269 | 90 | As is | 8.109 g |
| P-1270337765 | 98 | As is | in stock |
| P-606864690 | N/A | As is | in stock |
| P-489214460 | 97 | As is | in stock |
| P-596961108 | 98 | As is | 250 mg |
| P-579788853 | 95 | As is | by resynthesis (? - ? days) |
| P-1273260204 | 95 | As is | by resynthesis (? - ? days) |
| P-864150101 | 95 | As is | in stock |
| P-860056528 | 98 | As is | by synthesis |
| P-580700576 | 98 | As is | 1.821 g |
| P-901450618 | 95 | As is | by synthesis |
| P-881633906 | 98 | As is | in stock |
| P-851247416 | 95 | As is | by synthesis |
| P-860798317 | 98 | As is | in stock |
| P-580451452 | 99 | As is | in stock |
| P-861483526 | 95 | As is | by synthesis |
| P-579478350 | 95 | As is | in stock |
| P-500417983 | 98 | As is | in stock |
| P-675216031 | 95 | As is | in stock |
| P-524439080 | 97 | As is | 1.811 g |
| P-854715733 | 95 | As is | in stock |
| P-584624293 | 95 | As is | in stock |
| P-608272937 | 98 | As is | in stock |
| P-491318685 | 95 | As is | by synthesis |
| P-579712154 | 98 | As is | in stock |
| P-892296904 | 95 | As is | unavailable |
| P-869161963 | 95 | As is | 93 mg |
| P-888657357 | 95 | As is | 93 mg |
| P-611434447 | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 281.355 |
| logP | 3.7201 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 69.62 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 85.6954 |
| Atoms | 40 |
| Rings | 3 |
| Heavy atoms | 21 |
| Hydrogen atoms | 19 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| 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 |
