Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7315004275-0
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 | 13 USD | 95 | 34 working days | Get Quote |
| 5 mg | 13 USD | 95 | 34 working days | Get Quote |
| 10 mg | 13 USD | 95 | 34 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-2866746125-0
- Component type: Main
-
2
MCULE-3169739755-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-7315004275-0.sdf |
| SMILES | MCULE-7315004275-0.smiles |
| Standard InChI | MCULE-7315004275-0.inchi |
| InChIKey | MCULE-7315004275-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875727033 | N/A | As is | in stock |
| P-881672794 | 95 | As is | in stock |
| P-505389651 | 98 | As is | in stock |
| P-903056183 | 98 | As is | 75 g |
| P-893618566 | 90 | As is | 330.154 g |
| P-851947535 | N/A | As is | in stock |
| P-596982862 | 98 | As is | 75 g |
| P-872724493 | 98 | As is | in stock |
| P-584629738 | 98 | As is | 35 g |
| P-871220191 | N/A | As is | by resynthesis (? - ? days) |
| P-893221658 | 95 | As is | in stock |
| P-851278206 | 95 | As is | by synthesis |
| P-580450183 | 98 | As is | in stock |
| P-905411786 | 97 | As is | in stock |
| P-890851169 | 90 | As is | in stock |
| P-856009054 | 98 | As is | unavailable |
| P-608082950 | 98 | As is | 1000 g |
| P-896626778 | 95 | As is | by synthesis |
| P-854719598 | 95 | As is | in stock |
| P-878641690 | 98 | As is | in stock |
| P-500410744 | 98 | As is | by synthesis |
| P-885550155 | 95 | As is | by synthesis |
| P-579710464 | N/A | As is | in stock |
| P-869162135 | 95 | As is | by synthesis |
| P-892297153 | 95 | As is | unavailable |
| P-888657526 | 95 | As is | 9.502 g |
| P-893965627 | 95 | As is | in stock |
| P-853440530 | 95 | Main component as a main component | in stock |
| P-864139703 | 95 | Main component as a main component | in stock |
| P-861451825 | 95 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 1243.481 |
| logP | 11.3261 |
| H-bond acceptors | 20 |
| H-bond donors | 0 |
| Rotatable bonds | 28 |
| PSA | 257.6 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 336.2398 |
| Atoms | 169 |
| Rings | 8 |
| Heavy atoms | 87 |
| Hydrogen atoms | 82 |
| Heteroatoms | 22 |
| N/O atoms | 20 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 4 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
