Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6489847953-0
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 | 11 working days | Get Quote |
| 5 mg | 7 USD | 98 | 11 working days | Get Quote |
| 10 mg | 7 USD | 98 | 11 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-6489847953-0.sdf |
| SMILES | MCULE-6489847953-0.smiles |
| Standard InChI | MCULE-6489847953-0.inchi |
| InChIKey | MCULE-6489847953-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867639394 | 95 | As is | in stock |
| P-875805422 | 95 | As is | in stock |
| P-1275192109 | 98 | As is | in stock |
| P-1275152959 | 95 | As is | in stock |
| P-903162714 | 96 | As is | 75 g |
| P-893577486 | 90 | As is | 171.775 g |
| P-1270320819 | 95 | As is | in stock |
| P-851939370 | N/A | As is | in stock |
| P-597010553 | 96 | As is | 55 g |
| P-1273456796 | 95 | As is | by resynthesis (? - ? days) |
| P-866721094 | 95 | As is | by resynthesis (? - ? days) |
| P-864162234 | 95 | As is | in stock |
| P-481176400 | 96 | As is | 499 g |
| P-617431915 | 95 | As is | 12.25 g |
| P-893231620 | 95 | As is | in stock |
| P-881633583 | 98 | As is | in stock |
| P-878235908 | 95 | As is | by synthesis |
| P-868595088 | 96 | As is | in stock |
| P-580302051 | 95 | As is | by resynthesis (? - ? days) |
| P-905336471 | 96 | As is | 21 g |
| P-861981977 | 96 | As is | 75.53 g |
| P-494300876 | 98 | As is | in stock |
| P-870656158 | N/A | As is | in stock |
| P-675218838 | 95 | As is | in stock |
| P-524167893 | 98 | As is | 1000 mg |
| P-579637321 | 95 | As is | by resynthesis (? - ? days) |
| P-580497703 | N/A | As is | by synthesis |
| P-1272584192 | 97 | As is | 50 g |
| P-852454525 | 97 | As is | by synthesis |
| P-1267005116 | 95 | As is | by synthesis |
| P-854693275 | 95 | As is | in stock |
| P-608280024 | 98 | As is | in stock |
| P-500371324 | 98 | As is | by synthesis |
| P-885545165 | 95 | As is | by synthesis |
| P-617404885 | 98 | As is | in stock |
| P-869176420 | 95 | As is | in stock |
| P-892292953 | 95 | As is | unavailable |
| P-580050229 | 95 | As is | 150 mg |
| P-892328442 | 95 | As is | 150 mg |
| P-502364420 | 90 | As is | in stock |
| P-22534280 | 90 | As is | 968 mg |
| P-855050046 | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 162.141 |
| logP | 1.4986 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 0 |
| PSA | 50.44 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 44.507 |
| Atoms | 18 |
| Rings | 2 |
| Heavy atoms | 12 |
| Hydrogen atoms | 6 |
| 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 |
