Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3076973875
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 | 16 USD | 99 | 22 working days | Get Quote |
| 5 mg | 30 USD | 99 | 22 working days | Get Quote |
| 10 mg | 42 USD | 99 | 22 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.
-
MCULE-7838577311
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-3076973875.sdf |
| SMILES | MCULE-3076973875.smiles |
| Standard InChI | MCULE-3076973875.inchi |
| InChIKey | MCULE-3076973875.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867678343 | N/A | As is | in stock |
| P-875855707 | N/A | As is | in stock |
| P-892788911 | 95 | As is | by resynthesis (? - ? days) |
| P-903299172 | 98 | As is | 200 mg |
| P-893573275 | 90 | As is | 15.375 g |
| P-1270312825 | 98 | As is | in stock |
| P-889752825 | N/A | As is | in stock |
| P-873299748 | 98 | As is | 100 mg |
| P-1273264559 | 95 | As is | by resynthesis (? - ? days) |
| P-905463012 | 95 | As is | in stock |
| P-890246690 | 98 | As is | 55 mg |
| P-1275105971 | N/A | As is | by resynthesis (? - ? days) |
| P-887190558 | 95 | As is | by synthesis |
| P-900265248 | 95 | As is | in stock |
| P-492244875 | 95 | As is | in stock |
| P-502597865 | 90 | As is | in stock |
| P-1275312719 | 90 | As is | 1.01 g |
| P-1275293311 | 90 | As is | 1.01 g |
| P-873245652 | 97 | As is | 5 mg |
| P-854713647 | 95 | As is | in stock |
| P-871066240 | 95 | As is | in stock |
| P-608274825 | 98 | As is | in stock |
| P-892287155 | 95 | As is | unavailable |
| P-869109148 | 95 | As is | 151 mg |
| P-888627877 | 95 | As is | 151 mg |
| P-23300320 | 94 | As is | by resynthesis (? - ? days) |
| P-855065823 | 90 | As is | in stock |
| P-1271693748 | 98 | As is | in stock |
| P-872843289 | 99 | As a main component | in stock |
| P-875879869 | 99 | As a main component | in stock |
| P-851941065 | N/A | As a main component | in stock |
| P-864301083 | 95 | As a main component | by synthesis |
| P-873439352 | 99 | As a main component | by synthesis |
| P-1263266327 | 95 | As a main component | by synthesis |
| P-855927834 | 97 | As a main component | 50 mg |
| P-854702791 | 95 | As a main component | by synthesis |
| P-869109147 | 95 | As a main component | unavailable |
| P-888627876 | 95 | As a main component | unavailable |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 382.884 |
| logP | 3.5915 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 52.49 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 116.374 |
| Atoms | 50 |
| Rings | 4 |
| Heavy atoms | 27 |
| Hydrogen atoms | 23 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| 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 |
