Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3117597028
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 | 16 USD | 99 | 22 working days | Get Quote |
| 5 mg | 26 USD | 99 | 22 working days | Get Quote |
| 10 mg | 45 USD | 99 | 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.
-
1
MCULE-4459308465
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3117597028.sdf |
| SMILES | MCULE-3117597028.smiles |
| Standard InChI | MCULE-3117597028.inchi |
| InChIKey | MCULE-3117597028.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867685814 | 99 | As is | in stock |
| P-875863262 | 99 | As is | in stock |
| P-869309505 | 95 | As is | by resynthesis (? - ? days) |
| P-606926010 | N/A | As is | in stock |
| P-865932420 | 97 | As is | 75 mg |
| P-1274831381 | 95 | As is | by resynthesis (? - ? days) |
| P-864173666 | 95 | As is | in stock |
| P-901469652 | 95 | As is | by synthesis |
| P-861365335 | 95 | As is | by synthesis |
| P-855926505 | 97 | As is | 100 mg |
| P-895216877 | 95 | As is | by synthesis |
| P-579713156 | 98 | As is | in stock |
| P-869127302 | 95 | As is | unavailable |
| P-888640452 | 95 | As is | unavailable |
| P-868514729 | 95 | As is | in stock |
| P-869224203 | 95 | Main component | by resynthesis (? - ? days) |
| P-1264050556 | 98 | Main component | in stock |
| P-893503872 | 90 | Main component | 4.915 g |
| P-1270274599 | 98 | Main component | in stock |
| P-606900390 | N/A | Main component | in stock |
| P-1273263682 | 95 | Main component | by resynthesis (? - ? days) |
| P-904963278 | 95 | Main component | in stock |
| P-901921456 | 98 | Main component | 374 mg |
| P-887167673 | 95 | Main component | by synthesis |
| P-579481470 | 95 | Main component | in stock |
| P-868079533 | 95 | Main component | in stock |
| P-873245754 | 97 | Main component | 5 mg |
| P-854719489 | 95 | Main component | in stock |
| P-474027693 | 95 | Main component | in stock |
| P-608274537 | 98 | Main component | in stock |
| P-892293493 | 95 | Main component | unavailable |
| P-869154531 | 95 | Main component | 52 mg |
| P-888652109 | 95 | Main component | 52 mg |
| P-868496392 | 98 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 422.286 |
| logP | 4.6089 |
| H-bond acceptors | 9 |
| H-bond donors | 4 |
| Rotatable bonds | 5 |
| PSA | 169.14 |
| RO5 violations | 0 |
| RO3 violations | 6 |
| Refractivity | 100.4683 |
| Atoms | 43 |
| Rings | 2 |
| Heavy atoms | 26 |
| Hydrogen atoms | 17 |
| Heteroatoms | 12 |
| N/O atoms | 9 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
