Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2351168506
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 | 171 USD | 95 | 20 working days | Get Quote |
| 5 mg | 171 USD | 95 | 20 working days | Get Quote |
| 10 mg | 171 USD | 95 | 20 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-8520495638
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2351168506.sdf |
| SMILES | MCULE-2351168506.smiles |
| Standard InChI | MCULE-2351168506.inchi |
| InChIKey | MCULE-2351168506.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-851630855 | N/A | As is | by synthesis |
| P-590956146 | 99 | As is | by synthesis |
| P-579627553 | 95 | As is | in stock |
| P-1279504043 | 97 | As is | by synthesis |
| P-867431243 | N/A | Main component | by synthesis |
| P-1264929951 | 95 | Main component | by synthesis |
| P-1275269987 | 95 | Main component | 200 mg |
| P-1274622853 | 95 | Main component | 200 mg |
| P-1273289058 | 95 | Main component | by resynthesis (? - ? days) |
| P-1275486572 | 95 | Main component | in stock |
| P-1272500117 | 95 | Main component | by synthesis |
| P-1274333439 | 95 | Main component | unavailable |
| P-1274342496 | 95 | Main component | 161 mg |
| P-1274354183 | 95 | Main component | 16 mg |
| P-855004653 | 90 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 394.306 |
| logP | 5.9712 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 6 |
| PSA | 20.31 |
| RO5 violations | 1 |
| RO3 violations | 3 |
| Refractivity | 111.7205 |
| Atoms | 48 |
| Rings | 3 |
| Heavy atoms | 26 |
| Hydrogen atoms | 22 |
| Heteroatoms | 5 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| 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 |
