Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8333373645
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 | 40 USD | 90 | 22 working days | Get Quote |
| 5 mg | 58 USD | 90 | 22 working days | Get Quote |
| 10 mg | 74 USD | 90 | 22 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-9051937317
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8333373645.sdf |
| SMILES | MCULE-8333373645.smiles |
| Standard InChI | MCULE-8333373645.inchi |
| InChIKey | MCULE-8333373645.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886780285 | 95 | As is | in stock |
| P-890069174 | N/A | As is | by synthesis |
| P-903404440 | 95 | As is | 2.5 g |
| P-893829331 | 95 | As is | by synthesis |
| P-867644494 | 95 | Main component | in stock |
| P-875811294 | N/A | Main component | in stock |
| P-613850856 | 95 | Main component | in stock |
| P-851911623 | N/A | Main component | by synthesis |
| P-596498438 | 90 | Main component | 1000 mg |
| P-596464417 | 90 | Main component | 1000 mg |
| P-864157898 | 95 | Main component | in stock |
| P-591046311 | 95 | Main component | by synthesis |
| P-492247545 | 95 | Main component | in stock |
| P-619934822 | 90 | Main component | by synthesis |
| P-454758514 | 90 | Main component | in stock |
| P-6859978 | 90 | Main component | 8 mg |
| P-436456165 | 95 | Main component | 3 g |
| P-861534272 | 95 | Main component | by synthesis |
| P-34486040 | 90 | Main component | in stock |
| P-580778065 | 90 | Main component | by resynthesis (? - ? days) |
| P-580767338 | 90 | Main component | in stock |
| P-596577600 | 95 | Main component | 1000 mg |
| P-615643519 | 95 | Main component | in stock |
| P-580496445 | 95 | Main component | by synthesis |
| P-852402875 | N/A | Main component | in stock |
| P-854866423 | 95 | Main component | by synthesis |
| P-491130184 | 95 | Main component | by synthesis |
| P-23881809 | 90 | Main component | in stock |
| P-502333415 | 90 | Main component | in stock |
| P-22497214 | 90 | Main component | 43 mg |
| P-906895502 | 95 | Main component | by synthesis |
| P-855219450 | 90 | Main component | in stock |
| P-1232426 | 90 | Main component | 1.016 g |
| P-596528616 | 90 | Main component | 1.016 g |
| P-893648479 | 95 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 281.719 |
| logP | 2.958 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 95.73 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 70.2243 |
| Atoms | 26 |
| Rings | 3 |
| Heavy atoms | 18 |
| Hydrogen atoms | 8 |
| Heteroatoms | 7 |
| 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 |
