Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4369781366
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 | 9 USD | 97 | 20 working days | Get Quote |
| 5 mg | 9 USD | 97 | 20 working days | Get Quote |
| 10 mg | 9 USD | 97 | 20 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-9341308649
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4369781366.sdf |
| SMILES | MCULE-4369781366.smiles |
| Standard InChI | MCULE-4369781366.inchi |
| InChIKey | MCULE-4369781366.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867671222 | 95 | As is | in stock |
| P-875844845 | N/A | As is | in stock |
| P-874643216 | 97 | As is | in stock |
| P-851736729 | N/A | As is | by synthesis |
| P-489123407 | 97 | As is | in stock |
| P-591056994 | 97 | As is | by synthesis |
| P-616227746 | 95 | As is | in stock |
| P-3536237 | 90 | As is | 100 mg |
| P-868568473 | 98 | As is | in stock |
| P-901379007 | 95 | As is | 1000 mg |
| P-854062435 | 90 | As is | in stock |
| P-24395649 | 95 | As is | 300 mg |
| P-588710899 | 95 | As is | unavailable |
| P-854931221 | 95 | As is | by synthesis |
| P-13794816 | 92 | As is | 300 mg |
| P-617604710 | 90 | As is | 207 mg |
| P-893674687 | 95 | As is | by synthesis |
| P-867600881 | 97 | Main component | in stock |
| P-875758347 | N/A | Main component | in stock |
| P-505350332 | 98 | Main component | in stock |
| P-881671390 | 95 | Main component | in stock |
| P-903093638 | 97 | Main component | 15 g |
| P-610977080 | 90 | Main component | 232.303 g |
| P-606942792 | N/A | Main component | in stock |
| P-619153278 | 97 | Main component | 50 g |
| P-585298434 | 95 | Main component | by resynthesis (? - ? days) |
| P-864175195 | 97 | Main component | in stock |
| P-868578853 | 97 | Main component | in stock |
| P-905355183 | 97 | Main component | 15 g |
| P-889284047 | 97 | Main component | 21.821 g |
| P-890216720 | 90 | Main component | 1000 mg |
| P-590339150 | 90 | Main component | 1000 mg |
| P-524162345 | 98 | Main component | 25 g |
| P-601050711 | 90 | Main component | 5.264 g |
| P-525295561 | 95 | Main component | 5.264 g |
| P-580483267 | 95 | Main component | by synthesis |
| P-852603713 | N/A | Main component | in stock |
| P-854744684 | 95 | Main component | in stock |
| P-611485580 | 90 | Main component | in stock |
| P-615405098 | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 213.702 |
| logP | 3.1401 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 21.26 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 59.9737 |
| Atoms | 30 |
| Rings | 2 |
| Heavy atoms | 14 |
| Hydrogen atoms | 16 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| 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 |
