Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5572936869
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 | 17 USD | 97 | 14 working days | Get Quote |
| 5 mg | 33 USD | 97 | 20 working days | Get Quote |
| 10 mg | 48 USD | 97 | 20 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-5572936869.sdf |
| SMILES | MCULE-5572936869.smiles |
| Standard InChI | MCULE-5572936869.inchi |
| InChIKey | MCULE-5572936869.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867571443 | 97 | As is | in stock |
| P-875730996 | 97 | As is | in stock |
| P-869248856 | 95 | As is | by resynthesis (? - ? days) |
| P-903060572 | 97 | As is | 500 mg |
| P-1264052224 | 95 | As is | in stock |
| P-610989445 | 90 | As is | 171.771 g |
| P-1270334162 | 97 | As is | in stock |
| P-875893836 | 95 | As is | in stock |
| P-606928509 | N/A | As is | in stock |
| P-865908099 | 97 | As is | 500 mg |
| P-1273454664 | 95 | As is | by resynthesis (? - ? days) |
| P-864173658 | 97 | As is | in stock |
| P-896540323 | 99 | As is | in stock |
| P-580695133 | 97 | As is | 360 mg |
| P-1275106826 | N/A | As is | by resynthesis (? - ? days) |
| P-851312917 | 95 | As is | by synthesis |
| P-860800400 | 98 | As is | in stock |
| P-861364586 | 95 | As is | by synthesis |
| P-901410480 | 97 | As is | 500 mg |
| P-675213669 | 95 | As is | in stock |
| P-855924553 | 97 | As is | 5 mg |
| P-608121258 | 95 | As is | in stock |
| P-872930490 | N/A | As is | by synthesis |
| P-1279049783 | N/A | As is | by synthesis |
| P-1268711767 | 95 | As is | by synthesis |
| P-854720033 | 95 | As is | in stock |
| P-584615330 | 95 | As is | in stock |
| P-608271182 | 98 | As is | in stock |
| P-889863279 | 95 | As is | by synthesis |
| P-617404314 | 98 | As is | in stock |
| P-892294897 | 95 | As is | unavailable |
| P-555328762 | 95 | As is | 46 mg |
| P-888656117 | 95 | As is | 46 mg |
| P-611497302 | 90 | As is | in stock |
| P-1279092052 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 315.731 |
| logP | 3.8649 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 77.58 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 82.8324 |
| Atoms | 33 |
| Rings | 3 |
| Heavy atoms | 22 |
| Hydrogen atoms | 11 |
| Heteroatoms | 7 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
