Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
UNKNOWN STEREO
MCULE-6725084564
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 | 32 USD | 95 | 7 working days | Get Quote |
| 5 mg | 51 USD | 95 | 7 working days | Get Quote |
| 10 mg | 78 USD | 92 | 18 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.
-
1
MCULE-6128851035
- Component type: Main
-
1
MCULE-6124492894
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-6725084564.sdf |
| SMILES | MCULE-6725084564.smiles |
| Standard InChI | MCULE-6725084564.inchi |
| InChIKey | MCULE-6725084564.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-860622207 | N/A | As is | by synthesis |
| P-890026672 | N/A | As is | by synthesis |
| P-869364105 | 95 | As is | by resynthesis (? - ? days) |
| P-893256387 | 95 | As is | by synthesis |
| P-855344417 | 90 | As is | in stock |
| P-867634201 | N/A | Main component | in stock |
| P-875798750 | 95 | Main component | in stock |
| P-613855335 | 95 | Main component | by resynthesis (? - ? days) |
| P-865920733 | 99 | Main component | 100 mg |
| P-1275490665 | 95 | Main component | in stock |
| P-893230811 | 95 | Main component | in stock |
| P-869177976 | 95 | Main component | in stock |
| P-892296417 | 95 | Main component | unavailable |
| P-892253981 | 95 | Main component | 50 mg |
| P-892338800 | 95 | Main component | 50 mg |
| P-488555691 | 92 | Main component as a main component | in stock |
| P-488543613 | 90 | Main component as a main component | in stock |
| P-454363626 | 92 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 436.338 |
| logP | 4.3691 |
| H-bond acceptors | 5 |
| H-bond donors | 0 |
| Rotatable bonds | 4 |
| PSA | 40.16 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 114.98 |
| Atoms | 53 |
| Rings | 4 |
| Heavy atoms | 27 |
| Hydrogen atoms | 26 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
