Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5197700686
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 | 40 USD | 90 | 22 working days | Get Quote |
| 5 mg | 58 USD | 90 | 22 working days | Get Quote |
| 10 mg | 72 USD | 95 | 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-5369539484
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5197700686.sdf |
| SMILES | MCULE-5197700686.smiles |
| Standard InChI | MCULE-5197700686.inchi |
| InChIKey | MCULE-5197700686.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867669292 | 98 | As is | in stock |
| P-901286132 | N/A | As is | in stock |
| P-904536409 | 95 | As is | in stock |
| P-851852639 | N/A | As is | by synthesis |
| P-591028394 | 95 | As is | by synthesis |
| P-616226501 | 95 | As is | in stock |
| P-4150539 | 90 | As is | 100 mg |
| P-874588627 | 90 | As is | 4.364 g |
| P-888184292 | 90 | As is | in stock |
| P-868570528 | 98 | As is | in stock |
| P-855950585 | 95 | As is | 5 g |
| P-852422899 | N/A | As is | in stock |
| P-895726626 | 95 | As is | by synthesis |
| P-675097538 | 90 | As is | in stock |
| P-907173487 | 94 | As is | by resynthesis (? - ? days) |
| P-855308328 | 90 | As is | in stock |
| P-617766527 | 90 | As is | 238 mg |
| P-886517363 | 95 | Main component | in stock |
| P-875691497 | N/A | Main component | in stock |
| P-869328826 | 95 | Main component | in stock |
| P-903013075 | 95 | Main component | 5 g |
| P-851809692 | N/A | Main component | by synthesis |
| P-864251944 | 95 | Main component | by synthesis |
| P-591150116 | 95 | Main component | by synthesis |
| P-868564494 | 95 | Main component | in stock |
| P-854840902 | 95 | Main component | by synthesis |
| P-611498381 | 90 | Main component | in stock |
| P-893730712 | 95 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 206.712 |
| logP | 2.6773 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 55.12 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 55.9371 |
| Atoms | 32 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 19 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| 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 |
