Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5775228543
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 | 7 USD | 98 | 14 working days | Get Quote |
| 5 mg | 7 USD | 98 | 14 working days | Get Quote |
| 10 mg | 7 USD | 98 | 14 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-7399471364
- Component type: Main
-
1
MCULE-1113222985
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5775228543.sdf |
| SMILES | MCULE-5775228543.smiles |
| Standard InChI | MCULE-5775228543.inchi |
| InChIKey | MCULE-5775228543.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-851268336 | 95 | As is | by synthesis |
| P-868592885 | 98 | As is | in stock |
| P-608494720 | 95 | As is | in stock |
| P-896629546 | 95 | As is | by synthesis |
| P-854721167 | 95 | As is | in stock |
| P-474021807 | 95 | As is | in stock |
| P-608278173 | 98 | As is | in stock |
| P-893135776 | N/A | Main component | by synthesis |
| P-886566585 | N/A | Main component | in stock |
| P-890147330 | N/A | Main component | in stock |
| P-903084350 | 98 | Main component | 600 mg |
| P-907347037 | 90 | Main component | 525 mg |
| P-888815408 | 98 | Main component | 500 mg |
| P-905468134 | 95 | Main component | in stock |
| P-505501041 | 95 | Main component | in stock |
| P-899784313 | 97 | Main component | 10 mg |
| P-895200162 | 95 | Main component | by synthesis |
| P-899992278 | 95 | Main component | by synthesis |
| P-424944957 | 90 | Main component | in stock |
| P-892255066 | 95 | Main component | by synthesis |
| P-892339531 | 95 | Main component | unavailable |
| P-906890780 | 98 | Main component | by synthesis |
| P-852043553 | 90 | Main component | 128 mg |
| P-867653743 | 95 | Main component as a main component | in stock |
| P-875821852 | N/A | Main component as a main component | in stock |
| P-505403924 | 95 | Main component as a main component | in stock |
| P-869205187 | 98 | Main component as a main component | in stock |
| P-505390904 | 99 | Main component as a main component | in stock |
| P-903183789 | 98 | Main component as a main component | 900 g |
| P-596971053 | 98 | Main component as a main component | 200 g |
| P-864172712 | 98 | Main component as a main component | in stock |
| P-901452691 | 95 | Main component as a main component | by synthesis |
| P-500418558 | N/A | Main component as a main component | in stock |
| P-505509673 | 95 | Main component as a main component | in stock |
| P-445286492 | 92 | Main component as a main component | 300 mg |
| P-885534976 | 95 | Main component as a main component | by synthesis |
| P-579711087 | N/A | Main component as a main component | in stock |
| P-869107665 | 95 | Main component as a main component | by synthesis |
| P-892286271 | 95 | Main component as a main component | unavailable |
| P-888626701 | 95 | Main component as a main component | 202 mg |
| P-906780933 | 98 | Main component as a main component | by synthesis |
| P-611469886 | 90 | Main component as a main component | in stock |
| P-611471703 | 90 | Main component as a main component | in stock |
| P-666965820 | 95 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 435.311 |
| logP | 3.6395 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 7 |
| PSA | 90.73 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 107.9256 |
| Atoms | 50 |
| Rings | 2 |
| Heavy atoms | 27 |
| Hydrogen atoms | 23 |
| Heteroatoms | 7 |
| N/O atoms | 6 |
| 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 | 1 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
