Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4002619592
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 | 95 | 20 working days | Get Quote |
| 5 mg | 7 USD | 95 | 20 working days | Get Quote |
| 10 mg | 7 USD | 95 | 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-4002619592.sdf |
| SMILES | MCULE-4002619592.smiles |
| Standard InChI | MCULE-4002619592.inchi |
| InChIKey | MCULE-4002619592.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867544807 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875702087 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-597016478 | AEchem | Building blocks | 95 | As is | in stock |
| P-588248596 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-610980290 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 1.78657 kg |
| P-436452429 | Alinda | Building Blocks | 95 | As is | in stock |
| P-606848768 | AmBeed | In stock | N/A | As is | in stock |
| P-596939410 | Angene | Building Blocks in stock | 95 | As is | 667 g |
| P-895932984 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-864138766 | AstaTech | In Stock BBs | 97 | As is | in stock |
| P-590628499 | BLD pharm | In-stock building blocks | 98 | As is | 166 g |
| P-893250105 | Biosynth | Synthesis | 95 | As is | by synthesis |
| P-619927764 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
| P-887104735 | Combi-Blocks | Building Block in stock | 96 | As is | in stock |
| P-34550019 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
| P-580443850 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-862029997 | FluoroChem | General BB | 95 | As is | in stock |
| P-502528340 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-588716368 | Key Organics | Building Blocks | 95 | As is | 490 mg |
| P-893294494 | Key Organics | Screening Compounds and Fragments | 95 | As is | 490 mg |
| P-579625826 | LabSeeker, Inc | Stock Collection | 95 | As is | in stock |
| P-852406502 | Matrix Scientific | All | N/A | As is | in stock |
| P-854751644 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
| P-500373948 | Pi Chemicals | Virtual Compounds | 97 | As is | by synthesis |
| P-23877102 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-885540948 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-22724007 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-502358684 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-1217284 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 30 mg |
| P-893783833 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| P-893680053 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| P-893992688 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 137.179 |
| logP | 1.9033 |
| H-bond acceptors | 2 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 46.25 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 41.7812 |
| Atoms | 21 |
| Rings | 1 |
| Heavy atoms | 10 |
| Hydrogen atoms | 11 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
