Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2748398599
Compound
Show structures
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 | 18 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.
| Name | File |
|---|---|
| SDF | MCULE-2748398599.sdf |
| SMILES | MCULE-2748398599.smiles |
| Standard InChI | MCULE-2748398599.inchi |
| InChIKey | MCULE-2748398599.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-885896655 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-577175944 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
| P-502565135 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-503137441 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| P-503433148 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| P-502670829 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-502770582 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-488546956 | InterBioScreen | Building Blocks | 90 | As is | in stock |
| P-13498850 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
| P-563666038 | Key Organics | Building Blocks | 95 | As is | 100 mg |
| P-14204194 | Life Chemicals | Screening Compounds | 90 | As is | 52 mg |
| P-492283228 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 1.98 g |
| P-12815717 | Otava | In-House Stock Library | 90 | As is | 1.98 g |
| P-13544790 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
| P-18892843 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-12622337 | Specs | Screening Compounds | 90 | As is | 24 mg |
| P-869144569 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-888648128 | TargetMol | Screening Compounds - stock amount | 95 | As is | unavailable |
| P-23321411 | TimTec | ActiMol 6 Week | 90 | As is | in stock |
| P-1871263 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 124 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 183.233 |
| logP | 1.1637 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 84.2 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 47.677 |
| Atoms | 21 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 9 |
| Heteroatoms | 5 |
| 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 |
