Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1281961921
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 | 50 USD | 90 | 19 working days | Get Quote |
| 5 mg | 127 USD | 90 | 17 working days | Get Quote |
| 10 mg | 178 USD | 90 | 27 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-1281961921.sdf |
| SMILES | MCULE-1281961921.smiles |
| Standard InChI | MCULE-1281961921.inchi |
| InChIKey | MCULE-1281961921.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-852104620 | A2B Chem | Predominantly Building Block on demand | 98 | As is | by synthesis |
| P-901201267 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
| P-903166729 | Aaron Chemicals LLC | Predominantly Building Block | 99 | As is | 5 mg |
| P-888819943 | Angene | Building Blocks in stock | 99 | As is | 5 mg |
| P-900267749 | BOC Sciences | All products | N/A | As is | by resynthesis (? - ? days) |
| P-893222622 | Biosynth | In Stock | 95 | As is | in stock |
| P-449676960 | ChemDiv | New Chemistry Library | 90 | As is | 46 mg |
| P-22425704 | ChemDiv | Discovery Chemistry Library (natural) | 90 | As is | 46 mg |
| P-452656771 | Chemfaces | Natural Compounds | 98 | As is | in stock |
| P-488555599 | InterBioScreen | Bioactive compounds | 92 | As is | in stock |
| P-878209870 | Key Organics | Building Blocks | 95 | As is | 5 mg |
| P-854687465 | MedChemExpress | Natural Products on demand | 95 | As is | by synthesis |
| P-520022460 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-896117570 | Specs | Screening Compounds | 90 | As is | 10 mg |
| P-902615784 | Specs | Natural Products | 80 | As is | 10 mg |
| P-869165039 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-892304604 | TargetMol | Natural Products | 95 | As is | in stock |
| P-888660030 | TargetMol | Screening Compounds - stock amount | 95 | As is | unavailable |
| P-2350283 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 2 mg |
| P-894000119 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 245.230 |
| logP | 2.7038 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 64.72 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 66.522 |
| Atoms | 29 |
| Rings | 3 |
| Heavy atoms | 18 |
| Hydrogen atoms | 11 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| 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 |
