Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6690729429-0
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 | 19 USD | 92 | 18 working days | Get Quote |
| 5 mg | 29 USD | 92 | 18 working days | Get Quote |
| 10 mg | 36 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-5309798899-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-6690729429-0.sdf |
| SMILES | MCULE-6690729429-0.smiles |
| Standard InChI | MCULE-6690729429-0.inchi |
| InChIKey | MCULE-6690729429-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-892496453 | Asinex | General screening catalog | 90 | As is | 1000 mg |
| P-867417068 | A2B Chem | Predominantly Building Block on demand | N/A | Main component | by synthesis |
| P-901227641 | AA Blocks | AA Blocks - synthesis | N/A | Main component | by synthesis |
| P-596592326 | Key Organics | Building Blocks | 90 | Main component | 500 mg |
| P-852388000 | Matrix Scientific | All | N/A | Main component | in stock |
| P-864053282 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
| P-885527245 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component | by synthesis |
| P-424923475 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
| P-502335386 | TimTec | Building Block Collection | 90 | Main component | in stock |
| P-873063895 | TimTec | ActiMol 4 Week - On demand | 94 | Main component | by resynthesis (? - ? days) |
| P-25590803 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component | 2.783 g |
| P-464674554 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | Main component | 2.783 g |
| P-488553747 | InterBioScreen | Building Blocks | 90 | Main component as a main component | in stock |
| P-24456229 | InterBioScreen | Screening Compounds | 95 | Main component as a main component | 300 mg |
| P-852395518 | Matrix Scientific | All | N/A | Main component as a main component | in stock |
| P-454374294 | Pharmeks LLC | Building Blocks | 92 | Main component as a main component | in stock |
| P-864650021 | Pharmeks LLC | Synthetic compounds | 92 | Main component as a main component | 300 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 292.202 |
| logP | 2.4226 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 52.73 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 85.0502 |
| Atoms | 37 |
| Rings | 2 |
| Heavy atoms | 18 |
| Hydrogen atoms | 19 |
| Heteroatoms | 6 |
| N/O atoms | 4 |
| 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 |
