Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8752609733-0
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 | 7 USD | 98 | 14 working days | Get Quote |
| 5 mg | 7 USD | 98 | 14 working days | Get Quote |
| 10 mg | 7 USD | 98 | 14 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-2795129925-1
- Component type: Main
-
1
MCULE-5646000632-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8752609733-0.sdf |
| SMILES | MCULE-8752609733-0.smiles |
| Standard InChI | MCULE-8752609733-0.inchi |
| InChIKey | MCULE-8752609733-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886548186 | 95 | As is | in stock |
| P-889905655 | N/A | As is | by synthesis |
| P-881624712 | N/A | As is | by synthesis |
| P-890233047 | 95 | As is | by synthesis |
| P-886962196 | 98 | As is | by synthesis |
| P-860606288 | 99 | Main component as a main component | by synthesis |
| P-875689170 | N/A | Main component as a main component | in stock |
| P-875830829 | 98 | Main component as a main component | in stock |
| P-889901473 | 99 | Main component as a main component | by synthesis |
| P-1275168021 | 98 | Main component as a main component | in stock |
| P-1275168022 | 97 | Main component as a main component | in stock |
| P-1275148911 | 95 | Main component as a main component | in stock |
| P-874628373 | 99 | Main component as a main component | by resynthesis (? - ? days) |
| P-903007436 | 98 | Main component as a main component | 3.5 kg |
| P-1264058500 | 99 | Main component as a main component | in stock |
| P-606838925 | N/A | Main component as a main component | in stock |
| P-851436188 | N/A | Main component as a main component | by synthesis |
| P-851679746 | N/A | Main component as a main component | by synthesis |
| P-489239294 | 97 | Main component as a main component | in stock |
| P-865904443 | 99 | Main component as a main component | unavailable |
| P-596972922 | 95 | Main component as a main component | unavailable |
| P-596925779 | 98 | Main component as a main component | 500 g |
| P-895930538 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-1273352269 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-1273378300 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-1263786065 | 95 | Main component as a main component | in stock |
| P-887314689 | 95 | Main component as a main component | in stock |
| P-864197844 | 95 | Main component as a main component | in stock |
| P-619595498 | 98 | Main component as a main component | by synthesis |
| P-619590665 | 99 | Main component as a main component | by synthesis |
| P-868605167 | 98 | Main component as a main component | in stock |
| P-868630932 | 98 | Main component as a main component | in stock |
| P-1275226473 | 95 | Main component as a main component | 100 g |
| P-905434476 | 95 | Main component as a main component | 13.925 kg |
| P-500418083 | 98 | Main component as a main component | in stock |
| P-855920675 | 97 | Main component as a main component | 1000 g |
| P-524161471 | 98 | Main component as a main component | 100 mg |
| P-855913454 | 97 | Main component as a main component | 100 g |
| P-31248896 | 90 | Main component as a main component | unavailable |
| P-895254408 | 95 | Main component as a main component | by synthesis |
| P-1274999529 | 95 | Main component as a main component | in stock |
| P-622582500 | 90 | Main component as a main component | by synthesis |
| P-885537077 | 95 | Main component as a main component | by synthesis |
| P-1274334591 | 95 | Main component as a main component | unavailable |
| P-892261461 | 95 | Main component as a main component | 399.995 g |
| P-892342889 | 95 | Main component as a main component | 399.994 g |
| P-906751897 | 98 | Main component as a main component | by synthesis |
| P-906878116 | 99 | Main component as a main component | by synthesis |
| P-611448135 | 90 | Main component as a main component | in stock |
| P-855346633 | 90 | Main component as a main component | in stock |
| P-1271678219 | 98 | Main component as a main component | in stock |
| P-1271664561 | 98 | Main component as a main component | in stock |
| P-868526098 | 99 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 217.348 |
| logP | 3.0334 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 10 |
| PSA | 40.13 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 65.6123 |
| Atoms | 42 |
| Rings | 0 |
| Heavy atoms | 15 |
| Hydrogen atoms | 27 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
