Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
UNKNOWN STEREO
MCULE-1571250833
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 | 8 USD | 98 | 22 working days | Get Quote |
| 5 mg | 17 USD | 98 | 20 working days | Get Quote |
| 10 mg | 22 USD | 98 | 20 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.
-
1
MCULE-1553755500
- Component type: Main
-
1
MCULE-1504889908
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1571250833.sdf |
| SMILES | MCULE-1571250833.smiles |
| Standard InChI | MCULE-1571250833.inchi |
| InChIKey | MCULE-1571250833.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-868817925 | N/A | As is | by synthesis |
| P-867537351 | 98 | Main component | in stock |
| P-590358848 | 95 | Main component | in stock |
| P-851952573 | N/A | Main component | in stock |
| P-596981537 | 98 | Main component | 25 g |
| P-580195756 | 98 | Main component | in stock |
| P-864158478 | 95 | Main component | in stock |
| P-893236970 | 95 | Main component | in stock |
| P-893236984 | 95 | Main component | in stock |
| P-579721834 | N/A | Main component | unavailable |
| P-580451486 | 98 | Main component | in stock |
| P-505546293 | 95 | Main component | in stock |
| P-505620636 | 98 | Main component | in stock |
| P-611448362 | 90 | Main component | in stock |
| P-893993910 | 95 | Main component | in stock |
| P-867659181 | 97 | Main component as a main component | in stock |
| P-901179857 | N/A | Main component as a main component | in stock |
| P-865926129 | 97 | Main component as a main component | 1.25 g |
| P-864209366 | 95 | Main component as a main component | in stock |
| P-579721831 | N/A | Main component as a main component | unavailable |
| P-878261973 | 98 | Main component as a main component | in stock |
| P-904258129 | 95 | Main component as a main component | in stock |
| P-892270892 | 95 | Main component as a main component | by synthesis |
| P-892348810 | 95 | Main component as a main component | unavailable |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 397.573 |
| logP | 5.0525 |
| H-bond acceptors | 7 |
| H-bond donors | 5 |
| Rotatable bonds | 15 |
| PSA | 149.46 |
| RO5 violations | 1 |
| RO3 violations | 6 |
| Refractivity | 107.4186 |
| Atoms | 65 |
| Rings | 0 |
| Heavy atoms | 26 |
| Hydrogen atoms | 39 |
| Heteroatoms | 8 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
