Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5298048445
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 | 83 USD | 90 | 17 working days | Get Quote |
| 5 mg | 99 USD | 90 | 17 working days | Get Quote |
| 10 mg | 104 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-3286818432
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5298048445.sdf |
| SMILES | MCULE-5298048445.smiles |
| Standard InChI | MCULE-5298048445.inchi |
| InChIKey | MCULE-5298048445.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-872825287 | 98 | As is | in stock |
| P-875690732 | N/A | As is | in stock |
| P-874604502 | 95 | As is | in stock |
| P-892783264 | 95 | As is | in stock |
| P-903011810 | 95 | As is | 750 mg |
| P-893468545 | 90 | As is | 126.1 g |
| P-871252922 | N/A | As is | in stock |
| P-873288648 | 98 | As is | 2 g |
| P-864145128 | 95 | As is | in stock |
| P-871193965 | 95 | As is | 1.375 g |
| P-901500544 | 95 | As is | by synthesis |
| P-861350149 | 95 | As is | by synthesis |
| P-563635866 | 95 | As is | 250 mg |
| P-563455214 | 95 | As is | 1000 mg |
| P-851998634 | 98 | As is | in stock |
| P-467935942 | 95 | As is | by synthesis |
| P-601051042 | 90 | As is | 18 mg |
| P-580513153 | 95 | As is | 33.15 g |
| P-852537563 | N/A | As is | in stock |
| P-854784318 | 95 | As is | by synthesis |
| P-613809556 | 95 | As is | in stock |
| P-611361727 | 90 | As is | in stock |
| P-855247412 | 90 | As is | in stock |
| P-893736960 | 95 | As is | by synthesis |
| P-893859744 | 95 | As is | by synthesis |
| P-886927792 | 95 | As is | by synthesis |
| P-867431717 | 98 | Main component | by synthesis |
| P-904560844 | 95 | Main component | in stock |
| P-851873697 | N/A | Main component | by synthesis |
| P-864214393 | 95 | Main component | by synthesis |
| P-590336033 | 90 | Main component | 1000 mg |
| P-890213614 | 90 | Main component | in stock |
| P-579634911 | 95 | Main component | by resynthesis (? - ? days) |
| P-873232480 | 90 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 161.552 |
| logP | 2.3982 |
| H-bond acceptors | 1 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 26.02 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 29.0914 |
| Atoms | 16 |
| Rings | 1 |
| Heavy atoms | 9 |
| Hydrogen atoms | 7 |
| Heteroatoms | 5 |
| N/O atoms | 1 |
| Inorganic atoms | 0 |
| Halogen atoms | 4 |
| Chiral centers | 2 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
