Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2704483107-0
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 | 38 USD | 95 | 12 working days | Get Quote |
| 5 mg | 79 USD | 99 | 15 working days | Get Quote |
| 10 mg | 129 USD | 99 | 15 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.
| Name | File |
|---|---|
| SDF | MCULE-2704483107-0.sdf |
| SMILES | MCULE-2704483107-0.smiles |
| Standard InChI | MCULE-2704483107-0.inchi |
| InChIKey | MCULE-2704483107-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867693498 | 99 | As is | in stock |
| P-875873147 | 98 | As is | in stock |
| P-874630378 | N/A | As is | by resynthesis (? - ? days) |
| P-505401703 | 95 | As is | by resynthesis (? - ? days) |
| P-1264055217 | 99 | As is | in stock |
| P-893528688 | 90 | As is | 4.812 g |
| P-1270284136 | 99 | As is | in stock |
| P-891645894 | N/A | As is | in stock |
| P-895109747 | N/A | As is | 100 mg |
| P-1273376764 | 95 | As is | by resynthesis (? - ? days) |
| P-889795085 | 95 | As is | by synthesis |
| P-892414151 | 99 | As is | 137 mg |
| P-901428312 | 95 | As is | by synthesis |
| P-871216195 | 95 | As is | by synthesis |
| P-861286482 | 98 | As is | in stock |
| P-887188715 | 95 | As is | by synthesis |
| P-868660452 | 95 | As is | in stock |
| P-524167026 | 95 | As is | 1 mg |
| P-854719028 | 95 | As is | in stock |
| P-871069682 | 95 | As is | in stock |
| P-904244514 | 95 | As is | unavailable |
| P-869110529 | 95 | As is | 973 mg |
| P-888628771 | 95 | As is | 970 mg |
| P-1271702621 | 99 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 377.490 |
| logP | 5.4453 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 126.1 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 110.0874 |
| Atoms | 41 |
| Rings | 5 |
| Heavy atoms | 26 |
| Hydrogen atoms | 15 |
| Heteroatoms | 7 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
