Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
UNKNOWN STEREO
MCULE-3545019842
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 | 17 USD | 95 | 22 working days | Get Quote |
| 5 mg | 39 USD | 95 | 7 working days | Get Quote |
| 10 mg | 63 USD | 95 | 7 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-2250654211
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3545019842.sdf |
| SMILES | MCULE-3545019842.smiles |
| Standard InChI | MCULE-3545019842.inchi |
| InChIKey | MCULE-3545019842.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867553046 | 95 | As is | in stock |
| P-875711252 | N/A | As is | in stock |
| P-869267227 | 95 | As is | in stock |
| P-888731087 | N/A | As is | in stock |
| P-596927017 | 98 | As is | 500 mg |
| P-881653839 | 98 | As is | in stock |
| P-864152731 | 95 | As is | in stock |
| P-901431956 | 95 | As is | by synthesis |
| P-869117388 | 95 | As is | by synthesis |
| P-892288551 | 95 | As is | unavailable |
| P-888632633 | 95 | As is | 2.254 g |
| P-893890276 | 95 | As is | in stock |
| P-867693073 | 98 | Main component | in stock |
| P-875872771 | N/A | Main component | in stock |
| P-869508451 | 90 | Main component | 12 mg |
| P-892268514 | 95 | Main component | by synthesis |
| P-892347549 | 95 | Main component | unavailable |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 340.283 |
| logP | 5.8249 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 7 |
| PSA | 21.26 |
| RO5 violations | 1 |
| RO3 violations | 3 |
| Refractivity | 96.3917 |
| Atoms | 45 |
| Rings | 2 |
| Heavy atoms | 22 |
| Hydrogen atoms | 23 |
| Heteroatoms | 4 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
