Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5394555506
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 | 23 USD | 98 | 16 working days | Get Quote |
| 5 mg | 23 USD | 98 | 16 working days | Get Quote |
| 10 mg | 30 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-5394555506.sdf |
| SMILES | MCULE-5394555506.smiles |
| Standard InChI | MCULE-5394555506.inchi |
| InChIKey | MCULE-5394555506.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867537499 | 98 | As is | in stock |
| P-875692624 | N/A | As is | in stock |
| P-595214950 | 95 | As is | in stock |
| P-505394190 | N/A | As is | in stock |
| P-903013958 | 98 | As is | 700 mg |
| P-610974971 | 90 | As is | 16.094 g |
| P-606940369 | N/A | As is | in stock |
| P-489230628 | 97 | As is | in stock |
| P-619135949 | 98 | As is | 700 mg |
| P-580193531 | 98 | As is | in stock |
| P-864125703 | 95 | As is | in stock |
| P-896540289 | 99 | As is | in stock |
| P-606956138 | 98 | As is | 179 mg |
| P-893224774 | 95 | As is | in stock |
| P-881633937 | 98 | As is | in stock |
| P-851244121 | 95 | As is | by synthesis |
| P-860798460 | 98 | As is | in stock |
| P-861492625 | 95 | As is | by synthesis |
| P-579479196 | 95 | As is | in stock |
| P-524166448 | 97 | As is | 50 mg |
| P-852521306 | N/A | As is | in stock |
| P-854720456 | 95 | As is | in stock |
| P-474027067 | 95 | As is | in stock |
| P-608270639 | 98 | As is | in stock |
| P-500410996 | 98 | As is | by synthesis |
| P-889877656 | 95 | As is | by synthesis |
| P-579712322 | N/A | As is | in stock |
| P-464635805 | 95 | As is | by synthesis |
| P-892290147 | 95 | As is | unavailable |
| P-888637695 | 95 | As is | 102 mg |
| P-906796733 | 98 | As is | by synthesis |
| P-611510161 | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 554.516 |
| logP | 6.79388 |
| H-bond acceptors | 7 |
| H-bond donors | 2 |
| Rotatable bonds | 10 |
| PSA | 132.35 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 136.4234 |
| Atoms | 57 |
| Rings | 5 |
| Heavy atoms | 39 |
| Hydrogen atoms | 18 |
| Heteroatoms | 12 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 4 |
| 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 |
