Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1808512599
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 | 39 USD | 95 | 15 working days | Get Quote |
| 5 mg | 57 USD | 90 | 19 working days | Get Quote |
| 10 mg | 72 USD | 90 | 19 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.
| Name | File |
|---|---|
| SDF | MCULE-1808512599.sdf |
| SMILES | MCULE-1808512599.smiles |
| Standard InChI | MCULE-1808512599.inchi |
| InChIKey | MCULE-1808512599.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867413884 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-596408885 | Asinex | General screening catalog | 90 | As is | 8 mg |
| P-504786836 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 1 mg |
| P-577173565 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
| P-488546126 | InterBioScreen | Building Blocks | 90 | As is | in stock |
| P-13245108 | InterBioScreen | Screening Compounds | 95 | As is | 300 mg |
| P-596594676 | Key Organics | Building Blocks | 90 | As is | 500 mg |
| P-864023291 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-454370713 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
| P-885517542 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-19548969 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-22895705 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-873214413 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-888380662 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-1035916 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.387 g |
| P-464683418 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.387 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 268.310 |
| logP | 4.4872 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 72.28 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 80.4524 |
| Atoms | 36 |
| Rings | 3 |
| Heavy atoms | 20 |
| Hydrogen atoms | 16 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| 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 |
