Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8201802196
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 | 130 USD | 92 | 18 working days | Get Quote |
| 5 mg | 130 USD | 92 | 18 working days | Get Quote |
| 10 mg | 130 USD | 92 | 18 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-8308828794
- Component type: Main
-
1
MCULE-5932450224
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8201802196.sdf |
| SMILES | MCULE-8201802196.smiles |
| Standard InChI | MCULE-8201802196.inchi |
| InChIKey | MCULE-8201802196.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-675256536 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-675515294 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| P-675344335 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-675486035 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-13425762 | Pharmeks LLC | Semi-natural compounds | 92 | As is | 300 mg |
| P-896259793 | Specs | Screening Compounds | 90 | As is | unavailable |
| P-502447336 | Innovapharm | Virtual Building Blocks | 95 | Main component | by synthesis |
| P-502596968 | Innovapharm | Screening Compounds | 90 | Main component | in stock |
| P-492214237 | Innovapharm | Building Blocks | 95 | Main component | in stock |
| P-575379214 | Pharmeks LLC | Semi-natural compounds | 92 | Main component | 241 mg |
| P-895958486 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
| P-856064164 | Princeton Biomolecular Research | Building Block Stock | 95 | Main component | 1000 mg |
| P-896080061 | Specs | Repurposed Compounds | N/A | Main component | 9.376 g |
| P-33815740 | TimTec | ActiMol 6 Week | 90 | Main component | in stock |
| P-502350384 | TimTec | Building Block Collection | 90 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 313.229 |
| logP | 0.8952 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 1 |
| PSA | 57.2 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 57.8825 |
| Atoms | 30 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 14 |
| Heteroatoms | 5 |
| N/O atoms | 3 |
| Inorganic atoms | 1 |
| Halogen atoms | 1 |
| Chiral centers | 3 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 3 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
