Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
UNKNOWN STEREO
MCULE-4908547112
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 | 6 USD | 99 | 20 working days | Get Quote |
| 5 mg | 6 USD | 99 | 20 working days | Get Quote |
| 10 mg | 6 USD | 99 | 20 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.
-
1
MCULE-4204877494
- Component type: Main
-
1
MCULE-7567469160
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4908547112.sdf |
| SMILES | MCULE-4908547112.smiles |
| Standard InChI | MCULE-4908547112.inchi |
| InChIKey | MCULE-4908547112.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-893146775 | N/A | As is | by synthesis |
| P-855366068 | 90 | As is | in stock |
| P-875704329 | N/A | Main component | in stock |
| P-869194456 | 98 | Main component | in stock |
| P-505390046 | 99 | Main component | in stock |
| P-580265714 | 95 | Main component | by synthesis |
| P-606858855 | N/A | Main component | in stock |
| P-596940119 | 99 | Main component | 13.5 kg |
| P-864151030 | 95 | Main component | in stock |
| P-893260491 | 95 | Main component | by synthesis |
| P-580401953 | 95 | Main component | by resynthesis (? - ? days) |
| P-505497248 | 95 | Main component | in stock |
| P-427930130 | 95 | Main component | 300 mg |
| P-666812483 | 95 | Main component | by synthesis |
| P-590241706 | 92 | Main component | 300 mg |
| P-500405607 | 98 | Main component | by synthesis |
| P-892213664 | 95 | Main component | by synthesis |
| P-869175380 | 95 | Main component | in stock |
| P-892286518 | 95 | Main component | 399 mg |
| P-892310045 | 95 | Main component | 399 mg |
| P-502329609 | 90 | Main component | in stock |
| P-886927760 | 95 | Main component | by synthesis |
| P-875785516 | N/A | Main component as a main component | in stock |
| P-505352530 | 80 | Main component as a main component | in stock |
| P-1263079050 | N/A | Main component as a main component | in stock |
| P-865918010 | N/A | Main component as a main component | 2.5 kg |
| P-864131528 | 95 | Main component as a main component | in stock |
| P-901463831 | 95 | Main component as a main component | by synthesis |
| P-611503856 | 90 | Main component as a main component | in stock |
| P-590420146 | 95 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 218.250 |
| logP | -0.7813 |
| H-bond acceptors | 6 |
| H-bond donors | 3 |
| Rotatable bonds | 3 |
| PSA | 89.87 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 58.1233 |
| Atoms | 33 |
| Rings | 1 |
| Heavy atoms | 15 |
| Hydrogen atoms | 18 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| 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 |
