Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3511580786
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 | 19 USD | 98 | 22 working days | Get Quote |
| 5 mg | 38 USD | 98 | 22 working days | Get Quote |
| 10 mg | 56 USD | 98 | 22 working days | Get Quote |
- 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.
-
MCULE-6394620627
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-3511580786.sdf |
| SMILES | MCULE-3511580786.smiles |
| Standard InChI | MCULE-3511580786.inchi |
| InChIKey | MCULE-3511580786.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867612311 | 98 | As is | in stock |
| P-875773057 | 98 | As is | in stock |
| P-590417283 | 98 | As is | by resynthesis (? - ? days) |
| P-903113880 | 98 | As is | 75 mg |
| P-1264048438 | 99 | As is | in stock |
| P-893520166 | 90 | As is | 9.277 g |
| P-606885485 | N/A | As is | in stock |
| P-489145103 | 97 | As is | in stock |
| P-489230681 | 97 | As is | in stock |
| P-596963007 | N/A | As is | 25 mg |
| P-1273262097 | 95 | As is | by resynthesis (? - ? days) |
| P-864136144 | 90 | As is | in stock |
| P-872718746 | 98 | As is | by synthesis |
| P-851268254 | 95 | As is | by synthesis |
| P-860797991 | 98 | As is | in stock |
| P-861367307 | 95 | As is | by synthesis |
| P-579479336 | 95 | As is | in stock |
| P-505546803 | 95 | As is | in stock |
| P-596562139 | 97 | As is | 1 mg |
| P-1272589302 | 95 | As is | 100 mg |
| P-852468685 | 95 | As is | by synthesis |
| P-905147501 | 95 | As is | by synthesis |
| P-854712598 | 95 | As is | in stock |
| P-474023818 | 95 | As is | in stock |
| P-608269696 | 98 | As is | in stock |
| P-579710695 | 98 | As is | in stock |
| P-892292374 | 95 | As is | unavailable |
| P-869137276 | 95 | As is | 50 mg |
| P-888645141 | 95 | As is | 50 mg |
| P-855315356 | 90 | As is | in stock |
| P-1271591338 | 90 | As is | in stock |
| P-489217661 | 97 | As a main component | in stock |
| P-580340636 | 95 | As a main component | by resynthesis (? - ? days) |
| P-1263153743 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 456.560 |
| logP | 5.0997 |
| H-bond acceptors | 8 |
| H-bond donors | 0 |
| Rotatable bonds | 7 |
| PSA | 106.8 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 125.472 |
| Atoms | 60 |
| Rings | 4 |
| Heavy atoms | 32 |
| Hydrogen atoms | 28 |
| Heteroatoms | 9 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
