Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3980461563
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 | 15 USD | 99 | 8 working days | Get Quote |
| 5 mg | 28 USD | 98 | 16 working days | Get Quote |
| 10 mg | 40 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.
-
MCULE-7173755768
- Component type: Main
-
MCULE-9169821101
- Component type: Main
-
MCULE-2522305021
- Component type: Main
-
MCULE-9308759384
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-3980461563.sdf |
| SMILES | MCULE-3980461563.smiles |
| Standard InChI | MCULE-3980461563.inchi |
| InChIKey | MCULE-3980461563.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875792879 | 98 | As is | in stock |
| P-590397847 | 98 | As is | in stock |
| P-903143938 | 99 | As is | 2 g |
| P-1264047127 | 95 | As is | in stock |
| P-610959452 | 90 | As is | 148.77 g |
| P-606885303 | N/A | As is | in stock |
| P-489107810 | 97 | As is | in stock |
| P-489146987 | 97 | As is | in stock |
| P-596966070 | 99 | As is | 100 g |
| P-580192569 | 98 | As is | in stock |
| P-864125979 | 95 | As is | in stock |
| P-868544092 | 99 | As is | in stock |
| P-580703279 | 99 | As is | 1.866 g |
| P-901463742 | 95 | As is | by synthesis |
| P-881634068 | 98 | As is | in stock |
| P-851247395 | 95 | As is | by synthesis |
| P-860797776 | 98 | As is | in stock |
| P-861487956 | 99 | As is | by synthesis |
| P-579479185 | 95 | As is | in stock |
| P-500246770 | N/A | As is | in stock |
| P-862031447 | 99 | As is | 2 g |
| P-505545004 | 95 | As is | in stock |
| P-580492517 | N/A | As is | by synthesis |
| P-852522475 | N/A | As is | in stock |
| P-904641422 | 95 | As is | by synthesis |
| P-854721915 | 95 | As is | in stock |
| P-474026793 | 95 | As is | in stock |
| P-608275001 | 98 | As is | in stock |
| P-885542060 | 95 | As is | by synthesis |
| P-579709918 | N/A | As is | in stock |
| P-869161831 | 95 | As is | by synthesis |
| P-892296649 | 95 | As is | 448 mg |
| P-888657216 | 95 | As is | 448 mg |
| P-906906608 | 99 | As is | in stock |
| P-611413162 | 90 | As is | in stock |
| P-852195728 | N/A | As a main component | by synthesis |
| P-901269950 | N/A | As a main component | in stock |
| P-1264851462 | 95 | As a main component | 2.5 g |
| P-851489453 | N/A | As a main component | by synthesis |
| P-489155962 | 97 | As a main component | in stock |
| P-674396523 | 98 | As a main component | by synthesis |
| P-905535284 | 95 | As a main component | by synthesis |
| P-851275677 | 95 | As a main component | by synthesis |
| P-861280600 | 97 | As a main component | in stock |
| P-524166336 | 95 | As a main component | 50 mg |
| P-855354752 | 90 | As a main component | in stock |
| P-886937767 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 380.533 |
| logP | 4.0608 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 7 |
| PSA | 133.59 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 105.7964 |
| Atoms | 49 |
| Rings | 3 |
| Heavy atoms | 25 |
| Hydrogen atoms | 24 |
| Heteroatoms | 8 |
| N/O atoms | 6 |
| 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 |
