Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5459803920
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 | 7 USD | 99 | 14 working days | Get Quote |
| 5 mg | 13 USD | 99 | 22 working days | Get Quote |
| 10 mg | 16 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-4664243664
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5459803920.sdf |
| SMILES | MCULE-5459803920.smiles |
| Standard InChI | MCULE-5459803920.inchi |
| InChIKey | MCULE-5459803920.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867568447 | 99 | Main component | in stock |
| P-875728041 | 99 | Main component | in stock |
| P-1275163434 | 98 | Main component | in stock |
| P-872724438 | 98 | Main component | in stock |
| P-903057091 | 99 | Main component | 3 g |
| P-1264047906 | 99 | Main component | in stock |
| P-893509195 | 90 | Main component | 27.926 g |
| P-1270366791 | 99 | Main component | in stock |
| P-606944405 | N/A | Main component | in stock |
| P-489225317 | 97 | Main component | in stock |
| P-596948132 | 99 | Main component | 1000 mg |
| P-1273265574 | 95 | Main component | by resynthesis (? - ? days) |
| P-1273298782 | 95 | Main component | by resynthesis (? - ? days) |
| P-889559834 | 98 | Main component | in stock |
| P-868543785 | 99 | Main component | in stock |
| P-580722667 | 99 | Main component | 1.15 g |
| P-449730591 | 90 | Main component | 108 mg |
| P-578615948 | 90 | Main component | in stock |
| P-851249199 | 95 | Main component | by synthesis |
| P-860798177 | 98 | Main component | in stock |
| P-580452445 | 99 | Main component | in stock |
| P-896543379 | 98 | Main component | in stock |
| P-608496969 | 95 | Main component | in stock |
| P-500229699 | N/A | Main component | in stock |
| P-870660757 | N/A | Main component | in stock |
| P-675215961 | 95 | Main component | in stock |
| P-13509224 | 92 | Main component | 27 mg |
| P-524439949 | 97 | Main component | 392 mg |
| P-852523001 | 95 | Main component | by synthesis |
| P-854720630 | 95 | Main component | in stock |
| P-905145128 | 95 | Main component | by synthesis |
| P-584620228 | 95 | Main component | in stock |
| P-619672142 | 98 | Main component | in stock |
| P-491318978 | 95 | Main component | by synthesis |
| P-579711346 | 98 | Main component | in stock |
| P-892291366 | 95 | Main component | unavailable |
| P-464638258 | 95 | Main component | 176 mg |
| P-888640340 | 95 | Main component | 176 mg |
| P-907154988 | 94 | Main component | by resynthesis (? - ? days) |
| P-906883941 | 98 | Main component | by synthesis |
| P-611474720 | 90 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 314.207 |
| logP | 2.8867 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 39.34 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 91.2042 |
| Atoms | 37 |
| Rings | 3 |
| Heavy atoms | 20 |
| Hydrogen atoms | 17 |
| Heteroatoms | 6 |
| N/O atoms | 4 |
| 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 |
