Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3597918111
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 | 8 USD | 97 | 20 working days | Get Quote |
| 5 mg | 8 USD | 97 | 20 working days | Get Quote |
| 10 mg | 8 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-3597918111.sdf |
| SMILES | MCULE-3597918111.smiles |
| Standard InChI | MCULE-3597918111.inchi |
| InChIKey | MCULE-3597918111.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867561830 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
| P-875722319 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-890251666 | ACS Scientific | Synthesis catalog | 97 | As is | by synthesis |
| P-535626429 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-505388462 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-580239967 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
| P-606839083 | AmBeed | In stock | N/A | As is | in stock |
| P-489159451 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596945757 | Angene | Building Blocks in stock | 97 | As is | 375 g |
| P-494311441 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-864095655 | AstaTech | In Stock BBs | 96 | As is | in stock |
| P-580707465 | BLD pharm | In-stock building blocks | 97 | As is | 306 g |
| P-851239982 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-868579221 | Combi-Blocks | Building Block in stock | 97 | As is | in stock |
| P-580427586 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-861929799 | FluoroChem | General BB | N/A | As is | in stock |
| P-505496461 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-579630852 | LabSeeker, Inc | On demand Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-31258655 | LaboTest | Screening Collection | 90 | As is | unavailable |
| P-580510642 | Manchester Organics | Stock compounds | 97 | As is | 412 g |
| P-852383147 | Matrix Scientific | All | N/A | As is | in stock |
| P-854736509 | MedChemExpress | In stock Building Blocks | 95 | As is | in stock |
| P-885547345 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-502401274 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611375304 | Toronto Research | In stock | 90 | As is | in stock |
| P-615396355 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 215.985 |
| logP | 3.4072 |
| H-bond acceptors | 1 |
| H-bond donors | 0 |
| Rotatable bonds | 1 |
| PSA | 12.89 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 39.259 |
| Atoms | 14 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 2 |
| Heteroatoms | 6 |
| N/O atoms | 1 |
| Inorganic atoms | 0 |
| Halogen atoms | 5 |
| 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 |
