Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
UNKNOWN STEREO
MCULE-5043963263
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 | 26 USD | 97 | 22 working days | Get Quote |
| 5 mg | 72 USD | N/A | 9 working days | Get Quote |
| 10 mg | 72 USD | N/A | 9 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-1084312846
- Component type: Main
-
1
MCULE-8295936189
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5043963263.sdf |
| SMILES | MCULE-5043963263.smiles |
| Standard InChI | MCULE-5043963263.inchi |
| InChIKey | MCULE-5043963263.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-901301661 | N/A | As is | in stock |
| P-874654611 | N/A | As is | in stock |
| P-891649000 | N/A | As is | by synthesis |
| P-892193293 | N/A | As is | 25 mg |
| P-889520406 | 95 | As is | by synthesis |
| P-892250014 | 95 | As is | by synthesis |
| P-904249728 | 95 | As is | unavailable |
| P-892335748 | 95 | As is | 1 mg |
| P-611494008 | 90 | As is | in stock |
| P-901267976 | N/A | Main component | in stock |
| P-1263095800 | N/A | Main component | by synthesis |
| P-895098664 | N/A | Main component | unavailable |
| P-901459280 | 95 | Main component | by synthesis |
| P-611530076 | 90 | Main component | in stock |
| P-867685500 | 97 | Main component as a main component | in stock |
| P-875863142 | N/A | Main component as a main component | in stock |
| P-892784479 | 95 | Main component as a main component | in stock |
| P-869330820 | 95 | Main component as a main component | in stock |
| P-851899163 | N/A | Main component as a main component | by synthesis |
| P-851940547 | N/A | Main component as a main component | in stock |
| P-881654522 | 98 | Main component as a main component | in stock |
| P-905440504 | 95 | Main component as a main component | by synthesis |
| P-896047007 | 95 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 236.226 |
| logP | -0.0357 |
| H-bond acceptors | 9 |
| H-bond donors | 7 |
| Rotatable bonds | 6 |
| PSA | 168.76 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 54.0516 |
| Atoms | 32 |
| Rings | 0 |
| Heavy atoms | 16 |
| Hydrogen atoms | 16 |
| Heteroatoms | 9 |
| N/O atoms | 9 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 1 |
