Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2129114149
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 | 33 USD | 90 | 19 working days | Get Quote |
| 5 mg | 49 USD | 90 | 19 working days | Get Quote |
| 10 mg | 62 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-2129114149.sdf |
| SMILES | MCULE-2129114149.smiles |
| Standard InChI | MCULE-2129114149.inchi |
| InChIKey | MCULE-2129114149.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886560271 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875743272 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869236649 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-896060519 | AmBeed | In stock | N/A | As is | in stock |
| P-489242859 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-597010120 | Angene | Building Blocks in stock | N/A | As is | 10 g |
| P-889520539 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-893221404 | Biosynth | In Stock | 95 | As is | in stock |
| P-893263093 | Biosynth | Synthesis | 95 | As is | by synthesis |
| P-4741660 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 50 mg |
| P-488555748 | InterBioScreen | Bioactive compounds | 92 | As is | in stock |
| P-454411411 | Key Organics | Building Blocks | 97 | As is | 53.995 g |
| P-454341951 | Key Organics | Screening Compounds and Fragments | 97 | As is | 53.995 g |
| P-852470945 | Matrix Scientific | All | N/A | As is | in stock |
| P-899992241 | MedChemExpress | Screening compounds on demand | 95 | As is | by synthesis |
| P-895183560 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-871065282 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-19282906 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-885558871 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-869126388 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-888639784 | TargetMol | Screening Compounds - stock amount | 95 | As is | unavailable |
| P-611451489 | Toronto Research | In stock | 90 | As is | in stock |
| P-854973101 | Toronto Research | In stock | 90 | As is | in stock |
| P-567847 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 159 mg |
| P-893648694 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 297.332 |
| logP | 3.0787 |
| H-bond acceptors | 7 |
| H-bond donors | 2 |
| Rotatable bonds | 6 |
| PSA | 109.53 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 74.5884 |
| Atoms | 35 |
| Rings | 2 |
| Heavy atoms | 20 |
| Hydrogen atoms | 15 |
| Heteroatoms | 8 |
| N/O atoms | 7 |
| 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 |
