Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8602285949
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 | 24 USD | 95 | 17 working days | Get Quote |
| 5 mg | 24 USD | 95 | 17 working days | Get Quote |
| 10 mg | 24 USD | 95 | 17 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-1340081936
- Component type: Main
-
2
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8602285949.sdf |
| SMILES | MCULE-8602285949.smiles |
| Standard InChI | MCULE-8602285949.inchi |
| InChIKey | MCULE-8602285949.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-674994611 | 95 | As is | by synthesis |
| P-889959039 | 95 | As is | by synthesis |
| P-575337570 | 95 | As is | in stock |
| P-14044126 | 90 | As is | no data |
| P-580480121 | 95 | As is | by synthesis |
| P-852602874 | N/A | As is | in stock |
| P-895278917 | 95 | As is | by synthesis |
| P-612829161 | 96 | Main component | by synthesis |
| P-889912276 | 96 | Main component | by synthesis |
| P-590407647 | 95 | Main component | in stock |
| P-874635103 | 97 | Main component | in stock |
| P-867720484 | N/A | Main component | by synthesis |
| P-864120438 | 95 | Main component | in stock |
| P-863647956 | 95 | Main component | by synthesis |
| P-868584861 | 96 | Main component | in stock |
| P-580297728 | 95 | Main component | by resynthesis (? - ? days) |
| P-862093972 | 98 | Main component | 9 g |
| P-855935383 | 95 | Main component | 25 g |
| P-894028833 | 90 | Main component | 261 mg |
| P-892832362 | 95 | Main component | 261 mg |
| P-895221351 | 95 | Main component | in stock |
| P-12650404 | 90 | Main component | 1.926 g |
| P-855338926 | 90 | Main component | in stock |
| P-855217456 | 90 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 314.231 |
| logP | 3.5225 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 83.81 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 82.7251 |
| Atoms | 35 |
| Rings | 2 |
| Heavy atoms | 18 |
| Hydrogen atoms | 17 |
| Heteroatoms | 8 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
