Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7502909091
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 | 19 USD | 98 | 20 working days | Get Quote |
| 5 mg | 19 USD | 98 | 20 working days | Get Quote |
| 10 mg | 19 USD | 98 | 20 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-7502909091.sdf |
| SMILES | MCULE-7502909091.smiles |
| Standard InChI | MCULE-7502909091.inchi |
| InChIKey | MCULE-7502909091.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-890145158 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-489147210 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-590918195 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
| P-868613167 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-612920571 | A2B Chem | Predominantly Building Block on demand | 98 | As an isomer | by synthesis |
| P-590413189 | AK Scientific | Building Blocks | 95 | As an isomer | in stock |
| P-851724412 | AmBeed | On request | N/A | As an isomer | by synthesis |
| P-596988362 | Angene | Building Blocks in stock | 98 | As an isomer | 225 g |
| P-864266460 | AstaTech | Backordered BBs | 98 | As an isomer | by synthesis |
| P-4166932 | ChemBridge | EXPRESS-Pick Collection | 90 | As an isomer | 25 mg |
| P-580302163 | Debye Scientific | General Catalog | 95 | As an isomer | by resynthesis (? - ? days) |
| P-575334549 | EvoBlocks | In-stock Building Blocks | 95 | As an isomer | in stock |
| P-862133721 | FluoroChem | General BB | N/A | As an isomer | in stock |
| P-596571873 | Key Organics | Building Blocks | 97 | As an isomer | 1000 mg |
| P-500402018 | Pi Chemicals | Virtual Compounds | 98 | As an isomer | by synthesis |
| P-18959894 | Princeton Biomolecular Research | Screening Compounds | 90 | As an isomer | in stock |
| P-885546810 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As an isomer | by synthesis |
| P-22822452 | TimTec | ActiMol 3 Week | 90 | As an isomer | in stock |
| P-611377733 | Toronto Research | In stock | 90 | As an isomer | in stock |
| P-566500 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As an isomer | 225 mg |
| P-666974032 | eNovation Chemicals LLC | Building Blocks in stock | 98 | As an isomer | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 253.252 |
| logP | 4.0141 |
| H-bond acceptors | 4 |
| H-bond donors | 0 |
| Rotatable bonds | 4 |
| PSA | 62.89 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 75.0705 |
| Atoms | 30 |
| Rings | 2 |
| Heavy atoms | 19 |
| Hydrogen atoms | 11 |
| 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 | 1 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
