Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6797335969-0
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 | 19 USD | 92 | 18 working days | Get Quote |
| 5 mg | 20 USD | 95 | 15 working days | Get Quote |
| 10 mg | 20 USD | 95 | 15 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-2059398226-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-6797335969-0.sdf |
| SMILES | MCULE-6797335969-0.smiles |
| Standard InChI | MCULE-6797335969-0.inchi |
| InChIKey | MCULE-6797335969-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867619676 | 95 | As is | in stock |
| P-875781666 | N/A | As is | in stock |
| P-613847981 | 95 | As is | in stock |
| P-903128034 | 95 | As is | 25 g |
| P-610970641 | 90 | As is | 97.9 g |
| P-878260321 | N/A | As is | in stock |
| P-873293664 | 95 | As is | 25 g |
| P-892490197 | 90 | As is | 1000 mg |
| P-889560584 | 97 | As is | in stock |
| P-878234101 | 95 | As is | 24.925 g |
| P-901499385 | 95 | As is | by synthesis |
| P-870581683 | 97 | As is | in stock |
| P-488551627 | 90 | As is | in stock |
| P-24434893 | 95 | As is | 300 mg |
| P-855948018 | 95 | As is | 5 g |
| P-852422344 | N/A | As is | in stock |
| P-864063517 | 95 | As is | by synthesis |
| P-454372454 | 92 | As is | in stock |
| P-23802570 | 92 | As is | 300 mg |
| P-889853089 | 95 | As is | by synthesis |
| P-906816374 | 95 | As is | by synthesis |
| P-611475232 | 90 | As is | in stock |
| P-617726614 | 90 | As is | 1.035 g |
| P-617779614 | 90 | As is | 1.035 g |
| P-893992379 | 95 | As is | in stock |
| P-886615639 | 95 | Main component | in stock |
| P-889928852 | N/A | Main component | by synthesis |
| P-894644814 | 95 | Main component | in stock |
| P-903155237 | 95 | Main component | 2.5 g |
| P-904760613 | N/A | Main component | by synthesis |
| P-596500624 | 90 | Main component | unavailable |
| P-889809438 | 95 | Main component | by synthesis |
| P-905572288 | 95 | Main component | by synthesis |
| P-502550845 | 95 | Main component | by synthesis |
| P-854866501 | 95 | Main component | by synthesis |
| P-903731048 | 94 | Main component | by resynthesis (? - ? days) |
| P-893860512 | 95 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 178.658 |
| logP | 1.3962 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 41.13 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 50.3324 |
| Atoms | 26 |
| Rings | 1 |
| Heavy atoms | 11 |
| Hydrogen atoms | 15 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| 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 |
