Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1589351176
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 | 97 | 8 working days | Get Quote |
| 5 mg | 7 USD | 97 | 8 working days | Get Quote |
| 10 mg | 7 USD | 97 | 8 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-1589351176.sdf |
| SMILES | MCULE-1589351176.smiles |
| Standard InChI | MCULE-1589351176.inchi |
| InChIKey | MCULE-1589351176.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867574589 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
| P-875735148 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869189636 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-505398190 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-893528311 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 6.294 kg |
| P-875896470 | Allbio Pharm | In stock | N/A | As is | in stock |
| P-606874099 | AmBeed | In stock | N/A | As is | in stock |
| P-596983314 | Angene | Building Blocks in stock | 97 | As is | 4.919 kg |
| P-864186405 | AstaTech | In Stock BBs | 98 | As is | in stock |
| P-608391276 | BLD pharm | In-stock building blocks | 97 | As is | 792 g |
| P-893233294 | Biosynth | In Stock | 95 | As is | in stock |
| P-619934351 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
| P-868615029 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
| P-580382053 | Debye Scientific | General Catalog | N/A | As is | by resynthesis (? - ? days) |
| P-889109945 | FluoroChem | In Stock BB | N/A | As is | 25 g |
| P-588709454 | Key Organics | Building Blocks | 97 | As is | unavailable |
| P-873389799 | LabSeeker, Inc | On demand Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-31251891 | LaboTest | Screening Collection | 90 | As is | unavailable |
| P-613282213 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
| P-580495604 | Manchester Organics | Compounds on demand | 95 | As is | by synthesis |
| P-852466597 | Matrix Scientific | All | N/A | As is | in stock |
| P-854784793 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-885517308 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-611520688 | Toronto Research | In stock | 90 | As is | in stock |
| P-893945476 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 124.161 |
| logP | 0.1041 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 62.75 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 26.6608 |
| Atoms | 15 |
| Rings | 0 |
| Heavy atoms | 7 |
| Hydrogen atoms | 8 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| 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 |
