Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2800689772
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 | 19 USD | 97 | 22 working days | Get Quote |
| 5 mg | 19 USD | 97 | 22 working days | Get Quote |
| 10 mg | 53 USD | 98 | 16 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.
| Name | File |
|---|---|
| SDF | MCULE-2800689772.sdf |
| SMILES | MCULE-2800689772.smiles |
| Standard InChI | MCULE-2800689772.inchi |
| InChIKey | MCULE-2800689772.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867558501 | 97 | As is | in stock |
| P-875717693 | 97 | As is | in stock |
| P-590362202 | 98 | As is | by resynthesis (? - ? days) |
| P-903046120 | 97 | As is | 1000 mg |
| P-1264048510 | 98 | As is | in stock |
| P-893498452 | 90 | As is | 25.522 g |
| P-1270381682 | 99 | As is | in stock |
| P-606861124 | N/A | As is | in stock |
| P-596944239 | 97 | As is | 1000 mg |
| P-1273452144 | 95 | As is | by resynthesis (? - ? days) |
| P-1273457933 | 95 | As is | by resynthesis (? - ? days) |
| P-864173749 | 98 | As is | in stock |
| P-896540459 | 98 | As is | in stock |
| P-580709343 | 99 | As is | 2.48 g |
| P-900268750 | N/A | As is | by resynthesis (? - ? days) |
| P-851250688 | 95 | As is | by synthesis |
| P-860798256 | 98 | As is | in stock |
| P-861338253 | 95 | As is | by synthesis |
| P-579480318 | 95 | As is | in stock |
| P-861976340 | 97 | As is | 1000 mg |
| P-870660350 | N/A | As is | in stock |
| P-1273109269 | 97 | As is | 100 mg |
| P-579628707 | 98 | As is | in stock |
| P-1272598030 | 95 | As is | 250 mg |
| P-852523669 | 95 | As is | by synthesis |
| P-854714323 | 95 | As is | in stock |
| P-608274506 | 98 | As is | in stock |
| P-500409479 | 98 | As is | by synthesis |
| P-889872753 | 95 | As is | by synthesis |
| P-579711240 | 98 | As is | in stock |
| P-589631404 | 98 | As is | in stock |
| P-873282896 | N/A | As is | in stock |
| P-892291065 | 95 | As is | unavailable |
| P-869126777 | 95 | As is | 101 mg |
| P-888640067 | 95 | As is | 101 mg |
| P-906899262 | 97 | As is | in stock |
| P-611471027 | 90 | As is | in stock |
| P-893989421 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 307.388 |
| logP | 2.7201 |
| H-bond acceptors | 6 |
| H-bond donors | 3 |
| Rotatable bonds | 11 |
| PSA | 81.67 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 86.2184 |
| Atoms | 47 |
| Rings | 1 |
| Heavy atoms | 22 |
| Hydrogen atoms | 25 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| 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 |
