Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3197862590
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 | 10 USD | 97 | 20 working days | Get Quote |
| 5 mg | 10 USD | 97 | 20 working days | Get Quote |
| 10 mg | 10 USD | 97 | 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-3197862590.sdf |
| SMILES | MCULE-3197862590.smiles |
| Standard InChI | MCULE-3197862590.inchi |
| InChIKey | MCULE-3197862590.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867558011 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-869191689 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-590416053 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-893457742 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 213.9 g |
| P-20022039 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-619181984 | Angene | Building Blocks in stock | 97 | As is | 40 g |
| P-869388520 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-34823798 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
| P-580286590 | Debye Scientific | General Catalog | N/A | As is | by resynthesis (? - ? days) |
| P-494299815 | Frinton Laboratories | Frinton Building Blocks | 98 | As is | in stock |
| P-596567574 | Key Organics | Building Blocks | 97 | As is | 5 g |
| P-23891388 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-22852484 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-502331962 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-888493410 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-611401588 | Toronto Research | In stock | 90 | As is | in stock |
| P-1305298 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 428 mg |
| P-666975261 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 115.174 |
| logP | 1.8826 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 32.59 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 35.1105 |
| Atoms | 21 |
| Rings | 0 |
| Heavy atoms | 8 |
| Hydrogen atoms | 13 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
