Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8487276057
Compound
Show structure
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 | 11 USD | 98 | 22 working days | Get Quote |
| 5 mg | 17 USD | 98 | 20 working days | Get Quote |
| 10 mg | 29 USD | 98 | 20 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-8487276057.sdf |
| SMILES | MCULE-8487276057.smiles |
| Standard InChI | MCULE-8487276057.inchi |
| InChIKey | MCULE-8487276057.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867621760 | 98 | As is | in stock |
| P-875783813 | N/A | As is | in stock |
| P-590374893 | 98 | As is | in stock |
| P-903131419 | 98 | As is | 1000 mg |
| P-893597184 | 90 | As is | 7.442 g |
| P-606837143 | N/A | As is | in stock |
| P-489232310 | 97 | As is | in stock |
| P-596964569 | 98 | As is | 5 g |
| P-580193522 | 98 | As is | in stock |
| P-905440140 | 98 | As is | by synthesis |
| P-860056529 | 98 | As is | by synthesis |
| P-580700577 | 98 | As is | 2.199 g |
| P-871219269 | N/A | As is | by resynthesis (? - ? days) |
| P-881634096 | 98 | As is | in stock |
| P-851249239 | 95 | As is | by synthesis |
| P-860798318 | 98 | As is | in stock |
| P-580451453 | 98 | As is | in stock |
| P-861368307 | 95 | As is | by synthesis |
| P-579478373 | 95 | As is | in stock |
| P-580297814 | 95 | As is | by resynthesis (? - ? days) |
| P-675216032 | 95 | As is | in stock |
| P-524439077 | 97 | As is | 5.999 g |
| P-852464880 | N/A | As is | in stock |
| P-1263157842 | 95 | As is | by synthesis |
| P-854721706 | 95 | As is | in stock |
| P-584624294 | 95 | As is | in stock |
| P-608272938 | 98 | As is | in stock |
| P-491318739 | 95 | As is | by synthesis |
| P-579712122 | N/A | As is | in stock |
| P-869162023 | 95 | As is | by synthesis |
| P-892296991 | 95 | As is | unavailable |
| P-888657417 | 95 | As is | 84 mg |
| P-906784722 | 98 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 301.772 |
| logP | 4.0651 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 69.62 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 85.7394 |
| Atoms | 37 |
| Rings | 3 |
| Heavy atoms | 21 |
| Hydrogen atoms | 16 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| 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 |
