Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8317114203
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 | 10 USD | 95 | 14 working days | Get Quote |
| 5 mg | 10 USD | 95 | 14 working days | Get Quote |
| 10 mg | 10 USD | 95 | 14 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-8684380812
- Component type: Main
-
MCULE-4461705201
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-8317114203.sdf |
| SMILES | MCULE-8317114203.smiles |
| Standard InChI | MCULE-8317114203.inchi |
| InChIKey | MCULE-8317114203.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867537893 | 95 | As a main component | in stock |
| P-875693390 | 95 | As a main component | in stock |
| P-872728118 | 98 | As a main component | in stock |
| P-903014406 | 95 | As a main component | 50 g |
| P-1264058493 | 99 | As a main component | in stock |
| P-893617983 | 90 | As a main component | 123.253 g |
| P-851933353 | N/A | As a main component | in stock |
| P-489218957 | 97 | As a main component | in stock |
| P-596981544 | 95 | As a main component | 35 g |
| P-579788676 | 95 | As a main component | by resynthesis (? - ? days) |
| P-1273291359 | 95 | As a main component | by resynthesis (? - ? days) |
| P-864145502 | 94 | As a main component | in stock |
| P-893228984 | 95 | As a main component | in stock |
| P-1267046725 | 95 | As a main component | in stock |
| P-608220326 | 95 | As a main component | in stock |
| P-608220327 | 95 | As a main component | in stock |
| P-31175172 | 90 | As a main component | unavailable |
| P-1272588847 | 95 | As a main component | 25 g |
| P-852467375 | 95 | As a main component | by synthesis |
| P-1271843731 | 95 | As a main component | by synthesis |
| P-608270731 | 98 | As a main component | in stock |
| P-500409688 | 98 | As a main component | by synthesis |
| P-617401861 | 98 | As a main component | in stock |
| P-904222041 | 95 | As a main component | unavailable |
| P-869111648 | 95 | As a main component | unavailable |
| P-904238698 | 95 | As a main component | unavailable |
| P-892287851 | 95 | As a main component | 650 mg |
| P-888629514 | 95 | As a main component | 650 mg |
| P-22540401 | 90 | As a main component | 974 mg |
| P-611422745 | 90 | As a main component | in stock |
| P-855008458 | 90 | As a main component | in stock |
| P-855008459 | 90 | As a main component | in stock |
| P-480999487 | 97 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 314.403 |
| logP | 5.2942 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 55.92 |
| RO5 violations | 1 |
| RO3 violations | 2 |
| Refractivity | 104.0968 |
| Atoms | 44 |
| Rings | 4 |
| Heavy atoms | 24 |
| Hydrogen atoms | 20 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |
