Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1804591976-0
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-1408232727-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1804591976-0.sdf |
| SMILES | MCULE-1804591976-0.smiles |
| Standard InChI | MCULE-1804591976-0.inchi |
| InChIKey | MCULE-1804591976-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-33224224 | 90 | As is | in stock |
| P-617741706 | 90 | As is | 8.43 g |
| P-617711839 | 90 | As is | 8.43 g |
| P-867563629 | 98 | Main component | in stock |
| P-875722812 | N/A | Main component | in stock |
| P-597017065 | 98 | Main component | in stock |
| P-505351885 | 98 | Main component | in stock |
| P-881671034 | 95 | Main component | in stock |
| P-903052000 | 98 | Main component | 3.5 kg |
| P-905478515 | 98 | Main component | 1000 g |
| P-580198935 | 95 | Main component | 5 g |
| P-606860864 | N/A | Main component | in stock |
| P-489149249 | 97 | Main component | in stock |
| P-596945969 | 98 | Main component | 2 kg |
| P-895925693 | 95 | Main component | by resynthesis (? - ? days) |
| P-864140884 | 97 | Main component | in stock |
| P-889749646 | 95 | Main component | 28 g |
| P-580696991 | 98 | Main component | 2.925 kg |
| P-619932378 | 90 | Main component | by synthesis |
| P-449253400 | 90 | Main component | 13 mg |
| P-608155758 | 95 | Main component | 25 g |
| P-517095538 | 90 | Main component | in stock |
| P-868577658 | 98 | Main component | in stock |
| P-889115530 | 95 | Main component | 379 g |
| P-905342197 | 95 | Main component | 379 g |
| P-870661409 | N/A | Main component | in stock |
| P-505493207 | 95 | Main component | in stock |
| P-502687316 | 90 | Main component | in stock |
| P-524162942 | 98 | Main component | 1000 g |
| P-31129399 | 90 | Main component | unavailable |
| P-580510957 | 95 | Main component | 1000 g |
| P-852518932 | N/A | Main component | in stock |
| P-904721626 | 90 | Main component | in stock |
| P-854737412 | 95 | Main component | in stock |
| P-12328650 | 90 | Main component | 11 mg |
| P-885546475 | 95 | Main component | by synthesis |
| P-12388005 | 90 | Main component | 3.155 g |
| P-502357915 | 90 | Main component | in stock |
| P-22535548 | 90 | Main component | 1000 mg |
| P-906777561 | 98 | Main component | by synthesis |
| P-893987664 | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 230.691 |
| logP | 4.0319 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 28.68 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 68.4947 |
| Atoms | 27 |
| Rings | 3 |
| Heavy atoms | 16 |
| Hydrogen atoms | 11 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| 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 |
