Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3869171431
Compound
Show structures
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 | 13 USD | N/A | 9 working days | Get Quote |
| 5 mg | 18 USD | N/A | 9 working days | Get Quote |
| 10 mg | 20 USD | 98 | 11 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.
| Name | File |
|---|---|
| SDF | MCULE-3869171431.sdf |
| SMILES | MCULE-3869171431.smiles |
| Standard InChI | MCULE-3869171431.inchi |
| InChIKey | MCULE-3869171431.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867648124 | 95 | As is | in stock |
| P-875815768 | N/A | As is | in stock |
| P-869186160 | 95 | As is | in stock |
| P-505399641 | 98 | As is | in stock |
| P-903178353 | 99 | As is | 3 g |
| P-610955303 | 90 | As is | 249.41 g |
| P-606872017 | N/A | As is | in stock |
| P-489173383 | 97 | As is | in stock |
| P-596970414 | 99 | As is | 3 g |
| P-580192697 | 98 | As is | in stock |
| P-864120165 | 95 | As is | in stock |
| P-907573493 | 98 | As is | by synthesis |
| P-868543951 | 99 | As is | in stock |
| P-580703291 | 99 | As is | 450 mg |
| P-893225615 | 95 | As is | in stock |
| P-881634166 | 98 | As is | in stock |
| P-851246150 | 95 | As is | by synthesis |
| P-860799523 | 98 | As is | in stock |
| P-872749284 | 98 | As is | in stock |
| P-579478851 | 95 | As is | in stock |
| P-580402824 | 95 | As is | by resynthesis (? - ? days) |
| P-505534715 | 95 | As is | in stock |
| P-524169146 | 95 | As is | 5 g |
| P-580511896 | 95 | As is | 1.5 g |
| P-852521929 | N/A | As is | in stock |
| P-1263153479 | 95 | As is | by synthesis |
| P-854720588 | 95 | As is | in stock |
| P-474025961 | 95 | As is | in stock |
| P-608277783 | 98 | As is | in stock |
| P-579709924 | N/A | As is | in stock |
| P-906803483 | 99 | As is | by synthesis |
| P-611451481 | 90 | As is | in stock |
| P-886923112 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 413.826 |
| logP | 5.031 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 6 |
| PSA | 100.3 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 98.7779 |
| Atoms | 41 |
| Rings | 3 |
| Heavy atoms | 27 |
| Hydrogen atoms | 14 |
| Heteroatoms | 10 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| 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 |
