Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
UNKNOWN STEREO
MCULE-4684135084-0
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 | 20 working days | Get Quote |
| 5 mg | 6 USD | 98 | 20 working days | Get Quote |
| 10 mg | 6 USD | 98 | 20 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-2733438939-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4684135084-0.sdf |
| SMILES | MCULE-4684135084-0.smiles |
| Standard InChI | MCULE-4684135084-0.inchi |
| InChIKey | MCULE-4684135084-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886513944 | 97 | As is | in stock |
| P-890137391 | 97 | As is | in stock |
| P-1275160685 | 95 | As is | in stock |
| P-1270342789 | 98 | As is | in stock |
| P-895169003 | N/A | As is | in stock |
| P-619200482 | 95 | As is | 20 g |
| P-889523820 | 95 | As is | in stock |
| P-580292177 | N/A | As is | by resynthesis (? - ? days) |
| P-505524582 | 95 | As is | in stock |
| P-611494107 | 90 | As is | in stock |
| P-480988497 | 97 | As is | in stock |
| P-867610645 | 97 | As a main component | in stock |
| P-875769855 | 95 | As a main component | in stock |
| P-590398357 | 95 | As a main component | by resynthesis (? - ? days) |
| P-1270388762 | 95 | As a main component | in stock |
| P-580241452 | 95 | As a main component | by synthesis |
| P-606870611 | N/A | As a main component | in stock |
| P-596962334 | 98 | As a main component | 200 g |
| P-864096014 | 98 | As a main component | in stock |
| P-893222004 | 95 | As a main component | in stock |
| P-580420611 | 95 | As a main component | by resynthesis (? - ? days) |
| P-505524817 | 95 | As a main component | in stock |
| P-1274331933 | 95 | As a main component | unavailable |
| P-1274340499 | 95 | As a main component | 25.691 g |
| P-1274352401 | 95 | As a main component | 25.691 g |
| P-502373161 | 90 | As a main component | in stock |
| P-611383953 | 90 | As a main component | in stock |
| P-611461732 | 90 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 133.190 |
| logP | 2.3329 |
| H-bond acceptors | 1 |
| H-bond donors | 1 |
| Rotatable bonds | 0 |
| PSA | 26.02 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 41.7744 |
| Atoms | 21 |
| Rings | 2 |
| Heavy atoms | 10 |
| Hydrogen atoms | 11 |
| Heteroatoms | 1 |
| N/O atoms | 1 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
