Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4378271581
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 | 186 USD | 90 | 30 working days | Get Quote |
| 5 mg | 209 USD | 90 | 30 working days | Get Quote |
| 10 mg | 233 USD | 90 | 30 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-4378271581.sdf |
| SMILES | MCULE-4378271581.smiles |
| Standard InChI | MCULE-4378271581.inchi |
| InChIKey | MCULE-4378271581.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-889931897 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
| P-869312170 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-893398479 | Advanced ChemBlocks Inc (AChemBlock) | On demand | 90 | As is | by synthesis |
| P-436479511 | Alinda | Building Blocks | 95 | As is | in stock |
| P-851457899 | AmBeed | On request | N/A | As is | by synthesis |
| P-864297618 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-590778870 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
| P-454740667 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-868634474 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
| P-579522488 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | 1 mg |
| P-890211321 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As is | in stock |
| P-502588280 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-855912491 | Key Organics | Building Blocks | 95 | As is | unavailable |
| P-524174974 | Key Organics | Building Blocks | 95 | As is | unavailable |
| P-855951479 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
| P-613334744 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
| P-852537329 | Matrix Scientific | All | N/A | As is | in stock |
| P-854833886 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-491490704 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-855070986 | Toronto Research | In stock | 90 | As is | in stock |
| P-893795534 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 143.140 |
| logP | 0.0685 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 66.4 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 37.5305 |
| Atoms | 19 |
| Rings | 1 |
| Heavy atoms | 10 |
| Hydrogen atoms | 9 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |
