Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
UNKNOWN STEREO
MCULE-4652926593-0
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 | 6 USD | 98 | 22 working days | Get Quote |
| 5 mg | 6 USD | 98 | 22 working days | Get Quote |
| 10 mg | 6 USD | 98 | 22 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-2011834955-0
- Component type: Main
-
1
MCULE-6572487779-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4652926593-0.sdf |
| SMILES | MCULE-4652926593-0.smiles |
| Standard InChI | MCULE-4652926593-0.inchi |
| InChIKey | MCULE-4652926593-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867625295 | 97 | As is | in stock |
| P-875788119 | N/A | As is | in stock |
| P-535626022 | 97 | As is | in stock |
| P-535624694 | 99 | As is | in stock |
| P-505401084 | 98 | As is | in stock |
| P-1263084794 | N/A | As is | by synthesis |
| P-864301350 | 95 | As is | by synthesis |
| P-611356984 | 90 | As is | in stock |
| P-867533751 | 97 | Main component | in stock |
| P-875688245 | N/A | Main component | in stock |
| P-869185615 | 95 | Main component | in stock |
| P-505348447 | 98 | Main component | in stock |
| P-606890535 | N/A | Main component | in stock |
| P-580194872 | 98 | Main component | in stock |
| P-864112505 | 95 | Main component | in stock |
| P-1263490094 | 95 | Main component | by synthesis |
| P-580450317 | 99 | Main component | in stock |
| P-428630142 | 90 | Main component | in stock |
| P-492273275 | 95 | Main component | 33.22 g |
| P-505492303 | 95 | Main component | in stock |
| P-580041890 | 90 | Main component | in stock |
| P-890850021 | 95 | Main component | in stock |
| P-674817436 | 90 | Main component | 33.22 g |
| P-881187773 | 90 | Main component | 1000 mg |
| P-620219079 | 95 | Main component | 33.22 g |
| P-500374858 | 98 | Main component | by synthesis |
| P-500381532 | 98 | Main component | by synthesis |
| P-525182948 | 95 | Main component | by synthesis |
| P-869178053 | 95 | Main component | in stock |
| P-892297379 | 95 | Main component | 698 mg |
| P-892343254 | 95 | Main component | 698 mg |
| P-855050496 | 90 | Main component | in stock |
| P-867553069 | 98 | Main component as a main component | in stock |
| P-875711281 | N/A | Main component as a main component | in stock |
| P-869182719 | 95 | Main component as a main component | in stock |
| P-505393830 | 98 | Main component as a main component | in stock |
| P-606892122 | N/A | Main component as a main component | in stock |
| P-596942198 | 98 | Main component as a main component | 2.5 kg |
| P-864188103 | 95 | Main component as a main component | in stock |
| P-1263535124 | 95 | Main component as a main component | by synthesis |
| P-505525673 | 95 | Main component as a main component | in stock |
| P-869163874 | 95 | Main component as a main component | by synthesis |
| P-892299990 | 95 | Main component as a main component | 1.003 g |
| P-888659159 | 95 | Main component as a main component | 1.003 g |
| P-666979060 | 95 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 457.475 |
| logP | 2.1317 |
| H-bond acceptors | 10 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 137.76 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 119.2891 |
| Atoms | 55 |
| Rings | 4 |
| Heavy atoms | 31 |
| Hydrogen atoms | 24 |
| Heteroatoms | 12 |
| N/O atoms | 10 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
