Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8083669516
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 | 12 USD | 95 | 8 working days | Get Quote |
| 5 mg | 12 USD | 95 | 8 working days | Get Quote |
| 10 mg | 12 USD | 95 | 8 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-6422141688
- Component type: Main
-
1
MCULE-3833394421
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8083669516.sdf |
| SMILES | MCULE-8083669516.smiles |
| Standard InChI | MCULE-8083669516.inchi |
| InChIKey | MCULE-8083669516.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-890245169 | 95 | As is | 3.15 kg |
| P-901650385 | 98 | As is | in stock |
| P-862113821 | N/A | As is | 5 kg |
| P-1264055173 | 98 | Main component | in stock |
| P-893301679 | 95 | Main component | in stock |
| P-489105858 | 97 | Main component | in stock |
| P-580711226 | 98 | Main component | 3.4 kg |
| P-905500435 | N/A | Main component | in stock |
| P-505574868 | 98 | Main component | in stock |
| P-868610572 | 98 | Main component | in stock |
| P-905361562 | 98 | Main component | 3.975 kg |
| P-863615646 | 98 | Main component | by synthesis |
| P-493677571 | N/A | Main component | in stock |
| P-579613636 | 99 | Main component | in stock |
| P-852410898 | 95 | Main component | by synthesis |
| P-854691368 | 95 | Main component | in stock |
| P-901840361 | 95 | Main component | in stock |
| P-584624128 | 95 | Main component | in stock |
| P-608278188 | 98 | Main component | in stock |
| P-617403292 | 98 | Main component | in stock |
| P-1267006602 | 95 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 151.096 |
| logP | -1.6563 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 69.23 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 30.7812 |
| Atoms | 16 |
| Rings | 1 |
| Heavy atoms | 10 |
| Hydrogen atoms | 6 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| Inorganic atoms | 1 |
| 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 |
