Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1522431027-0
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 | 22 USD | 98 | 8 working days | Get Quote |
| 5 mg | 22 USD | 98 | 8 working days | Get Quote |
| 10 mg | 22 USD | 98 | 8 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 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-1055505018-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1522431027-0.sdf |
| SMILES | MCULE-1522431027-0.smiles |
| Standard InChI | MCULE-1522431027-0.inchi |
| InChIKey | MCULE-1522431027-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867623798 | 98 | As is | in stock |
| P-875785926 | N/A | As is | in stock |
| P-590384703 | 95 | As is | in stock |
| P-903135732 | 98 | As is | 10 g |
| P-610970296 | 90 | As is | 35.696 kg |
| P-867720382 | N/A | As is | in stock |
| P-489192750 | 97 | As is | in stock |
| P-596994992 | 98 | As is | 30 g |
| P-864125763 | 95 | As is | in stock |
| P-861317499 | 98 | As is | 6 g |
| P-868646543 | 95 | As is | in stock |
| P-580273496 | 95 | As is | by resynthesis (? - ? days) |
| P-862090908 | 98 | As is | 30 g |
| P-579515961 | 90 | As is | 5.1 g |
| P-890209779 | 90 | As is | 5.1 g |
| P-505536492 | 95 | As is | in stock |
| P-502530820 | 95 | As is | by synthesis |
| P-524173810 | 95 | As is | unavailable |
| P-579631880 | 95 | As is | by resynthesis (? - ? days) |
| P-14060976 | 95 | As is | 492 mg |
| P-601055726 | 90 | As is | 492 mg |
| P-580514255 | 95 | As is | 27.5 g |
| P-852506107 | N/A | As is | in stock |
| P-895263746 | 95 | As is | by synthesis |
| P-500402640 | 97 | As is | by synthesis |
| P-491316891 | 95 | As is | by synthesis |
| P-906862137 | 98 | As is | by synthesis |
| P-611376250 | 90 | As is | in stock |
| P-854648327 | 95 | As is | in stock |
| P-855962091 | 95 | As a main component | 250 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 230.058 |
| logP | 2.2338 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 63.32 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 48.3942 |
| Atoms | 20 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 8 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| 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 |
