Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3202431259-0
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 | 98 | 11 working days | Get Quote |
| 5 mg | 13 USD | 98 | 11 working days | Get Quote |
| 10 mg | 13 USD | 98 | 11 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-3788394698-1
- Component type: Main
-
1
MCULE-3833394421-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3202431259-0.sdf |
| SMILES | MCULE-3202431259-0.smiles |
| Standard InChI | MCULE-3202431259-0.inchi |
| InChIKey | MCULE-3202431259-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-875749385 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869193537 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-590416193 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-851457906 | AmBeed | On request | N/A | As is | by synthesis |
| P-619183577 | Angene | Building Blocks in stock | 99 | As is | 11 kg |
| P-864203264 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-591169299 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
| P-868612526 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-889116475 | FluoroChem | In Stock BB | N/A | As is | 5 g |
| P-504022072 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| P-855919136 | Key Organics | Building Blocks | 97 | As is | 500 g |
| P-579665971 | LabSeeker, Inc | On demand Catalog | 99 | As is | by resynthesis (? - ? days) |
| P-885547428 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-873284657 | Shanghai iChemical | In stock | N/A | As is | in stock |
| P-666975023 | eNovation Chemicals LLC | Building Blocks in stock | 98 | As is | in stock |
| P-504021684 | Innovapharm | Virtual Screening Compounds | 90 | Main component as a main component | by synthesis |
| P-504022491 | Innovapharm | Virtual Screening Compounds | 90 | Main component as a main component | by synthesis |
| P-852510522 | Matrix Scientific | All | N/A | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 145.091 |
| logP | -0.5549 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 1 |
| PSA | 53.02 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 29.254 |
| Atoms | 14 |
| Rings | 1 |
| Heavy atoms | 10 |
| Hydrogen atoms | 4 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 1 |
| 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 |
