Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2869499635-0
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 | 22 working days | Get Quote |
| 5 mg | 19 USD | 98 | 22 working days | Get Quote |
| 10 mg | 19 USD | 98 | 22 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-3065255051-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2869499635-0.sdf |
| SMILES | MCULE-2869499635-0.smiles |
| Standard InChI | MCULE-2869499635-0.inchi |
| InChIKey | MCULE-2869499635-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-851736502 | N/A | As is | by synthesis |
| P-666950361 | 95 | As is | by synthesis |
| P-904058611 | 95 | As is | by synthesis |
| P-867662437 | 98 | Main component | in stock |
| P-875831476 | N/A | Main component | in stock |
| P-869185015 | 98 | Main component | in stock |
| P-505389205 | 99 | Main component | in stock |
| P-505389781 | 98 | Main component | in stock |
| P-903206954 | 98 | Main component | 25 g |
| P-893532952 | 90 | Main component | 106.847 g |
| P-606867360 | N/A | Main component | in stock |
| P-596985907 | 98 | Main component | 75 g |
| P-580195306 | 98 | Main component | in stock |
| P-494415664 | 95 | Main component | by resynthesis (? - ? days) |
| P-864145619 | 95 | Main component | in stock |
| P-900154956 | 95 | Main component | in stock |
| P-580722753 | 98 | Main component | 65.45 g |
| P-901477786 | 95 | Main component | by synthesis |
| P-893266480 | 95 | Main component | by synthesis |
| P-901529903 | 95 | Main component | by synthesis |
| P-893232448 | 95 | Main component | in stock |
| P-505578426 | 97 | Main component | in stock |
| P-851286736 | 95 | Main component | by synthesis |
| P-868592045 | 98 | Main component | in stock |
| P-580290054 | N/A | Main component | by resynthesis (? - ? days) |
| P-862032708 | 95 | Main component | 1.606 g |
| P-905320032 | 95 | Main component | in stock |
| P-579483922 | 90 | Main component | 752 mg |
| P-890204340 | 90 | Main component | in stock |
| P-505515941 | 95 | Main component | in stock |
| P-505515218 | 95 | Main component | in stock |
| P-524443823 | 97 | Main component | 1.317 g |
| P-873242665 | 97 | Main component | 10 mg |
| P-873242666 | 97 | Main component | 10 mg |
| P-579745053 | 90 | Main component | 236 mg |
| P-895183135 | 95 | Main component | in stock |
| P-905144805 | 95 | Main component | in stock |
| P-584620364 | 95 | Main component | in stock |
| P-878645431 | 98 | Main component | in stock |
| P-859956171 | 95 | Main component | by synthesis |
| P-675100886 | 90 | Main component | in stock |
| P-579710334 | N/A | Main component | in stock |
| P-869126634 | 95 | Main component | by synthesis |
| P-892290996 | 95 | Main component | 1.993 g |
| P-888639965 | 95 | Main component | 1.993 g |
| P-873223815 | 90 | Main component | in stock |
| P-611377826 | 90 | Main component | in stock |
| P-852040269 | 90 | Main component | 55 mg |
| P-893680420 | 95 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 291.727 |
| logP | 3.093 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 59.3 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 76.7713 |
| Atoms | 34 |
| Rings | 3 |
| Heavy atoms | 20 |
| Hydrogen atoms | 14 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| 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 |
