Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2561802098
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 | 7 USD | 98 | 20 working days | Get Quote |
| 5 mg | 7 USD | 98 | 20 working days | Get Quote |
| 10 mg | 7 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-2561802098.sdf |
| SMILES | MCULE-2561802098.smiles |
| Standard InChI | MCULE-2561802098.inchi |
| InChIKey | MCULE-2561802098.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-875762430 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-611623618 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-893586958 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 225 g |
| P-606924554 | AmBeed | In stock | N/A | As is | in stock |
| P-489218069 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596960195 | Angene | Building Blocks in stock | 98 | As is | 175 g |
| P-552040596 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-864150495 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-580734329 | BLD pharm | In-stock building blocks | 98 | As is | 3.35 g |
| P-868617526 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-862140627 | FluoroChem | General BB | N/A | As is | in stock |
| P-502469693 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-492215419 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-596563193 | Key Organics | Building Blocks | 97 | As is | 250 mg |
| P-870639429 | Key Organics | Screening Compounds and Fragments | 97 | As is | 100 mg |
| P-31177494 | LaboTest | Screening Collection | 90 | As is | 500 mg |
| P-428002427 | Maybridge | Screening Collection | 95 | As is | 337 g |
| P-865620051 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
| P-492286007 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 879 mg |
| P-12961996 | Otava | In-House Stock Library | 90 | As is | 879 mg |
| P-889862216 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-902558779 | Specs | Natural Products | 80 | As is | in stock |
| P-896073918 | Specs | Repurposed Compounds | N/A | As is | 7.179 g |
| P-502351267 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611580124 | Toronto Research | In stock | 90 | As is | in stock |
| P-868495197 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 180.205 |
| logP | 2.783 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 0 |
| PSA | 25.78 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 57.044 |
| Atoms | 22 |
| Rings | 3 |
| Heavy atoms | 14 |
| Hydrogen atoms | 8 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
