Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8453562639-0
Structure
Show compound
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 | 39 USD | 95 | 22 working days | Get Quote |
| 5 mg | 39 USD | 95 | 22 working days | Get Quote |
| 10 mg | 39 USD | 95 | 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-3806282072-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8453562639-0.sdf |
| SMILES | MCULE-8453562639-0.smiles |
| Standard InChI | MCULE-8453562639-0.inchi |
| InChIKey | MCULE-8453562639-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867625365 | 95 | As is | in stock |
| P-875788164 | 95 | As is | in stock |
| P-612939162 | 95 | As is | by resynthesis (? - ? days) |
| P-1264561328 | 98 | As is | 750 mg |
| P-893455251 | 90 | As is | 12.947 g |
| P-1270290646 | 95 | As is | in stock |
| P-851815504 | N/A | As is | by synthesis |
| P-1271945654 | 98 | As is | 750 mg |
| P-1273447182 | 95 | As is | by resynthesis (? - ? days) |
| P-905460199 | 95 | As is | in stock |
| P-591004400 | 95 | As is | by synthesis |
| P-901480308 | 95 | As is | by synthesis |
| P-492262083 | 95 | As is | in stock |
| P-872448096 | 90 | As is | 100 mg |
| P-868563646 | 95 | As is | in stock |
| P-580784158 | 90 | As is | by resynthesis (? - ? days) |
| P-580771781 | 90 | As is | in stock |
| P-1275236509 | 90 | As is | in stock |
| P-862071393 | 98 | As is | 1.196 g |
| P-524195446 | 95 | As is | 250 mg |
| P-563528322 | 95 | As is | 988 mg |
| P-596548107 | 95 | As is | 988 mg |
| P-1272566024 | N/A | As is | 4 g |
| P-852385620 | N/A | As is | by synthesis |
| P-895224012 | 95 | As is | in stock |
| P-889875358 | 95 | As is | by synthesis |
| P-904101457 | 95 | As is | 1.4 g |
| P-903652136 | 94 | As is | by resynthesis (? - ? days) |
| P-906891706 | 98 | As is | by synthesis |
| P-611594396 | 90 | As is | in stock |
| P-1271633190 | 98 | As is | in stock |
| P-867595081 | 95 | Main component | in stock |
| P-890147665 | 95 | Main component | in stock |
| P-869264226 | 95 | Main component | by resynthesis (? - ? days) |
| P-903086362 | 97 | Main component | 5 g |
| P-893484532 | 90 | Main component | 25 g |
| P-851876114 | N/A | Main component | by synthesis |
| P-889773378 | 95 | Main component | in stock |
| P-454634262 | 90 | Main component | in stock |
| P-436469236 | 95 | Main component | in stock |
| P-881674573 | N/A | Main component | by resynthesis (? - ? days) |
| P-590338329 | 90 | Main component | 14 g |
| P-890215895 | 90 | Main component | in stock |
| P-855975810 | 97 | Main component | 500 mg |
| P-854760227 | 95 | Main component | by synthesis |
| P-19492396 | 90 | Main component | in stock |
| P-33464739 | 90 | Main component | in stock |
| P-502333628 | 90 | Main component | in stock |
| P-611572599 | 90 | Main component | in stock |
| P-893968819 | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 201.691 |
| logP | 3.6073 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 35.25 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 57.1864 |
| Atoms | 29 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 16 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
