Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8417754276
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 | 26 USD | 98 | 20 working days | Get Quote |
| 5 mg | 30 USD | 98 | 16 working days | Get Quote |
| 10 mg | 40 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-8417754276.sdf |
| SMILES | MCULE-8417754276.smiles |
| Standard InChI | MCULE-8417754276.inchi |
| InChIKey | MCULE-8417754276.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867627205 | 98 | As is | in stock |
| P-875790882 | 98 | As is | in stock |
| P-1275194361 | 99 | As is | in stock |
| P-580193121 | 98 | As is | in stock |
| P-1264046919 | 95 | As is | in stock |
| P-893518865 | 90 | As is | in stock |
| P-1270281570 | 98 | As is | in stock |
| P-606859906 | N/A | As is | in stock |
| P-489113433 | 97 | As is | in stock |
| P-596965805 | 98 | As is | 100 mg |
| P-1273453573 | 95 | As is | by resynthesis (? - ? days) |
| P-889559821 | 98 | As is | in stock |
| P-860056811 | 98 | As is | by synthesis |
| P-868544017 | 99 | As is | in stock |
| P-580706960 | 98 | As is | 266 mg |
| P-881634070 | 98 | As is | in stock |
| P-851268089 | 95 | As is | by synthesis |
| P-860797657 | 98 | As is | in stock |
| P-861514345 | 95 | As is | by synthesis |
| P-579478688 | 95 | As is | in stock |
| P-862001146 | 98 | As is | 100 mg |
| P-505527608 | 95 | As is | in stock |
| P-1273108818 | 95 | As is | 100 mg |
| P-579659996 | 95 | As is | by resynthesis (? - ? days) |
| P-580489573 | N/A | As is | by synthesis |
| P-852458905 | N/A | As is | by synthesis |
| P-1272585235 | N/A | As is | in stock |
| P-1267007533 | 95 | As is | by synthesis |
| P-854720542 | 95 | As is | in stock |
| P-474028168 | 95 | As is | in stock |
| P-608274918 | 98 | As is | in stock |
| P-579709877 | 98 | As is | in stock |
| P-589631348 | 98 | As is | in stock |
| P-892296708 | 95 | As is | unavailable |
| P-869161859 | 95 | As is | 98 mg |
| P-888657244 | 95 | As is | 85 mg |
| P-611482710 | 90 | As is | in stock |
| P-855245874 | 90 | As is | in stock |
| P-1279087188 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 513.587 |
| logP | 4.8193 |
| H-bond acceptors | 9 |
| H-bond donors | 2 |
| Rotatable bonds | 11 |
| PSA | 97.84 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 150.9039 |
| Atoms | 69 |
| Rings | 5 |
| Heavy atoms | 38 |
| Hydrogen atoms | 31 |
| Heteroatoms | 9 |
| N/O atoms | 9 |
| 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 |
