Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2788535708
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 | 14 USD | 98 | 14 working days | Get Quote |
| 5 mg | 14 USD | 98 | 14 working days | Get Quote |
| 10 mg | 14 USD | 98 | 14 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.
-
1
MCULE-2100574071
- Component type: Main
-
1
MCULE-1176533515
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2788535708.sdf |
| SMILES | MCULE-2788535708.smiles |
| Standard InChI | MCULE-2788535708.inchi |
| InChIKey | MCULE-2788535708.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-903113831 | 99 | As is | 4 g |
| P-893568990 | 90 | As is | 128.062 g |
| P-893297860 | 98 | As is | by synthesis |
| P-893297877 | 98 | As is | by synthesis |
| P-851315809 | 95 | As is | by synthesis |
| P-903005479 | 97 | As is | in stock |
| P-579480887 | 95 | As is | in stock |
| P-854721729 | 95 | As is | in stock |
| P-474025276 | 95 | As is | in stock |
| P-579712564 | N/A | As is | in stock |
| P-589631555 | N/A | As is | in stock |
| P-873278970 | N/A | As is | in stock |
| P-903058922 | 98 | Main component | 3.51 g |
| P-610963553 | 90 | Main component | 87.977 g |
| P-489158748 | 97 | Main component | in stock |
| P-893297972 | 98 | Main component | by synthesis |
| P-893297981 | 98 | Main component | by synthesis |
| P-851259849 | 95 | Main component | by synthesis |
| P-861515838 | 97 | Main component | by synthesis |
| P-608112527 | 97 | Main component | 25 g |
| P-852530813 | N/A | Main component | in stock |
| P-896628073 | 95 | Main component | by synthesis |
| P-854711779 | 95 | Main component | in stock |
| P-474025274 | 95 | Main component | in stock |
| P-608269734 | 98 | Main component | in stock |
| P-589631427 | N/A | Main component | in stock |
| P-579711207 | N/A | Main component | in stock |
| P-903113830 | 98 | Main component as a main component | 2 g |
| P-489177380 | 97 | Main component as a main component | in stock |
| P-887184709 | 95 | Main component as a main component | by synthesis |
| P-579481220 | 95 | Main component as a main component | in stock |
| P-854712564 | 95 | Main component as a main component | in stock |
| P-474025275 | 95 | Main component as a main component | in stock |
| P-906906864 | 98 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 492.591 |
| logP | 5.943 |
| H-bond acceptors | 8 |
| H-bond donors | 3 |
| Rotatable bonds | 4 |
| PSA | 135.69 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 139.2284 |
| Atoms | 63 |
| Rings | 5 |
| Heavy atoms | 35 |
| Hydrogen atoms | 28 |
| Heteroatoms | 9 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
