Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1929712708-0
Structure
Show compound
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 | 7 USD | 98 | 14 working days | Get Quote |
| 5 mg | 7 USD | 98 | 14 working days | Get Quote |
| 10 mg | 7 USD | 98 | 14 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-9078962965-0
- Component type: Main
-
1
MCULE-7728164114-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1929712708-0.sdf |
| SMILES | MCULE-1929712708-0.smiles |
| Standard InChI | MCULE-1929712708-0.inchi |
| InChIKey | MCULE-1929712708-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867589498 | 98 | As is | in stock |
| P-875749249 | N/A | As is | in stock |
| P-590416346 | 95 | As is | in stock |
| P-903080213 | 99 | As is | 10 g |
| P-619183600 | 99 | As is | 5 g |
| P-869388717 | 95 | As is | in stock |
| P-905432505 | 95 | As is | 7.975 g |
| P-855955116 | 97 | As is | 25 g |
| P-906768710 | 80 | As is | by synthesis |
| P-611445987 | 90 | As is | in stock |
| P-615409776 | 95 | As is | in stock |
| P-867558361 | 98 | Main component as a main component | in stock |
| P-867589499 | 98 | Main component as a main component | in stock |
| P-875717622 | N/A | Main component as a main component | in stock |
| P-875749250 | N/A | Main component as a main component | in stock |
| P-881661935 | 95 | Main component as a main component | in stock |
| P-590369090 | 98 | Main component as a main component | in stock |
| P-590375255 | 98 | Main component as a main component | in stock |
| P-903080215 | 98 | Main component as a main component | 500 g |
| P-903045627 | 98 | Main component as a main component | 1000 g |
| P-606870758 | N/A | Main component as a main component | in stock |
| P-489203646 | 97 | Main component as a main component | in stock |
| P-596984617 | 98 | Main component as a main component | 400 g |
| P-596987204 | 98 | Main component as a main component | 900 g |
| P-895935558 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-864198571 | 95 | Main component as a main component | in stock |
| P-864201454 | 95 | Main component as a main component | in stock |
| P-893279240 | 98 | Main component as a main component | 9.985 g |
| P-591045182 | 98 | Main component as a main component | by synthesis |
| P-868603384 | 98 | Main component as a main component | in stock |
| P-868613001 | 98 | Main component as a main component | in stock |
| P-862048069 | 95 | Main component as a main component | 624.555 g |
| P-596565579 | 97 | Main component as a main component | 100 g |
| P-596574459 | 97 | Main component as a main component | 25 g |
| P-885537507 | 95 | Main component as a main component | by synthesis |
| P-906905784 | 98 | Main component as a main component | in stock |
| P-906847084 | 98 | Main component as a main component | by synthesis |
| P-611445986 | 90 | Main component as a main component | in stock |
| P-611445988 | 90 | Main component as a main component | in stock |
| P-615412298 | 95 | Main component as a main component | in stock |
| P-615412764 | 95 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 334.021 |
| logP | 3.568 |
| H-bond acceptors | 1 |
| H-bond donors | 0 |
| Rotatable bonds | 16 |
| PSA | 0.0 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 107.5934 |
| Atoms | 66 |
| Rings | 0 |
| Heavy atoms | 22 |
| Hydrogen atoms | 44 |
| Heteroatoms | 2 |
| N/O atoms | 1 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| 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 |
