Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3077784578
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 | 6 USD | 98 | 14 working days | Get Quote |
| 5 mg | 6 USD | 98 | 14 working days | Get Quote |
| 10 mg | 6 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.
| Name | File |
|---|---|
| SDF | MCULE-3077784578.sdf |
| SMILES | MCULE-3077784578.smiles |
| Standard InChI | MCULE-3077784578.inchi |
| InChIKey | MCULE-3077784578.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867578269 | 98 | As is | in stock |
| P-875737646 | 98 | As is | in stock |
| P-597026040 | 98 | As is | unavailable |
| P-903067697 | 98 | As is | 1.9 kg |
| P-606908021 | N/A | As is | in stock |
| P-489171321 | 97 | As is | in stock |
| P-596951659 | 98 | As is | 30 g |
| P-494327978 | 95 | As is | by resynthesis (? - ? days) |
| P-864188217 | 95 | As is | in stock |
| P-481170735 | 95 | As is | 5 g |
| P-580286075 | N/A | As is | by resynthesis (? - ? days) |
| P-905328025 | 98 | As is | 60 g |
| P-896530906 | 98 | As is | 259 g |
| P-488548656 | 90 | As is | in stock |
| P-454388590 | 97 | As is | 500 g |
| P-855998464 | 97 | As is | 100 mg |
| P-856042517 | 90 | As is | unavailable |
| P-31251170 | 90 | As is | unavailable |
| P-613283652 | 95 | As is | by synthesis |
| P-1272590840 | 95 | As is | 10 g |
| P-852483758 | 95 | As is | by synthesis |
| P-492274523 | 95 | As is | 1.5 g |
| P-423522160 | 90 | As is | 1.5 g |
| P-454367629 | 92 | As is | in stock |
| P-500373866 | 98 | As is | by synthesis |
| P-885528571 | 95 | As is | by synthesis |
| P-596790440 | 96 | As is | 6 kg |
| P-502331122 | 90 | As is | in stock |
| P-906771980 | 98 | As is | by synthesis |
| P-611462779 | 90 | As is | in stock |
| P-1271699543 | 96 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 160.622 |
| logP | 2.056 |
| H-bond acceptors | 1 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 45.31 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 39.088 |
| Atoms | 14 |
| Rings | 1 |
| Heavy atoms | 9 |
| Hydrogen atoms | 5 |
| Heteroatoms | 3 |
| N/O atoms | 1 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
