Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3976278537
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 | 34 USD | 90 | 17 working days | Get Quote |
| 5 mg | 51 USD | 90 | 17 working days | Get Quote |
| 10 mg | 65 USD | 90 | 17 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-3976278537.sdf |
| SMILES | MCULE-3976278537.smiles |
| Standard InChI | MCULE-3976278537.inchi |
| InChIKey | MCULE-3976278537.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886576258 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-890148870 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-885852301 | Alinda | Building Blocks | 95 | As is | in stock |
| P-851704036 | AmBeed | On request | N/A | As is | by synthesis |
| P-865912892 | Angene | Building Blocks in stock | N/A | As is | 500 mg |
| P-869407131 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-590894375 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
| P-492270232 | ChemBridge | Building Block Library | 95 | As is | in stock |
| P-505612592 | Chemcia | Virtual compounds | 95 | As is | by synthesis |
| P-861399654 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-579719418 | EDASA Scientific Limited | Synthesis Building Blocks | N/A | As is | by resynthesis (? - ? days) |
| P-505627058 | Endotherm | Endotherm General Catalog | 95 | As is | in stock |
| P-889286796 | FluoroChem | General BB | 98 | As is | in stock |
| P-675513672 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-675477476 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-563670053 | Key Organics | Building Blocks | 95 | As is | 50 mg |
| P-580483309 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-852603724 | Matrix Scientific | All | N/A | As is | in stock |
| P-854791099 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-492281874 | Otava | Chemical Building Blocks for Prompt Delivery | 90 | As is | 1000 mg |
| P-424180085 | Otava | In-House Stock Library | 90 | As is | 1000 mg |
| P-19841134 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-424723328 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 130 mg |
| P-615453589 | eNovation Chemicals LLC | Building Blocks in stock | 94 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 200.617 |
| logP | 2.1697 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 35.53 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 49.8235 |
| Atoms | 22 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 9 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
