Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5857556719
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 | 13 USD | 98 | 9 working days | Get Quote |
| 5 mg | 13 USD | 98 | 9 working days | Get Quote |
| 10 mg | 13 USD | 98 | 9 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-4099742867
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5857556719.sdf |
| SMILES | MCULE-5857556719.smiles |
| Standard InChI | MCULE-5857556719.inchi |
| InChIKey | MCULE-5857556719.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867578938 | 98 | As is | in stock |
| P-875737801 | 98 | As is | in stock |
| P-505395081 | 95 | As is | by resynthesis (? - ? days) |
| P-903067949 | 98 | As is | 150 g |
| P-905477723 | 97 | As is | 100 g |
| P-893486762 | 90 | As is | 742.75 g |
| P-1270367784 | 98 | As is | in stock |
| P-606837096 | N/A | As is | in stock |
| P-489118194 | 97 | As is | in stock |
| P-596951755 | 98 | As is | 125 g |
| P-579785398 | 95 | As is | by resynthesis (? - ? days) |
| P-864111132 | 97 | As is | in stock |
| P-580699965 | 98 | As is | 37 g |
| P-619927673 | 90 | As is | by synthesis |
| P-871217021 | 95 | As is | by synthesis |
| P-868648033 | 98 | As is | in stock |
| P-580437515 | 95 | As is | by resynthesis (? - ? days) |
| P-905339596 | 95 | As is | 40 g |
| P-862001624 | 95 | As is | 316.75 g |
| P-505508521 | 95 | As is | in stock |
| P-502529894 | 95 | As is | by synthesis |
| P-563388240 | 97 | As is | 10 g |
| P-855993766 | 97 | As is | 100 mg |
| P-31266060 | 90 | As is | 250 mg |
| P-580510986 | 95 | As is | in stock |
| P-852432205 | N/A | As is | by synthesis |
| P-895222116 | 95 | As is | in stock |
| P-491308303 | 95 | As is | by synthesis |
| P-596780257 | 98 | As is | 79.5 g |
| P-906864254 | 98 | As is | by synthesis |
| P-611490333 | 90 | As is | in stock |
| P-588725215 | N/A | As is | by synthesis |
| P-867382073 | 95 | As a main component | by synthesis |
| P-890037165 | 95 | As a main component | by synthesis |
| P-904554366 | 95 | As a main component | by resynthesis (? - ? days) |
| P-893456522 | 90 | As a main component | 3.663 g |
| P-895303306 | 95 | As a main component | by synthesis |
| P-855252486 | 90 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 186.234 |
| logP | 2.3753 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 80.57 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 49.1161 |
| Atoms | 22 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 10 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| 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 |
