Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4784487978
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 | 5 USD | 95 | 8 working days | Get Quote |
| 5 mg | 5 USD | 95 | 8 working days | Get Quote |
| 10 mg | 5 USD | 95 | 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-4784487978.sdf |
| SMILES | MCULE-4784487978.smiles |
| Standard InChI | MCULE-4784487978.inchi |
| InChIKey | MCULE-4784487978.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867537610 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875693244 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-590403955 | AK Scientific | Building Blocks | N/A | As is | in stock |
| P-893519631 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 2.515 kg |
| P-580244525 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
| P-675240226 | Allbio Pharm | In stock | N/A | As is | in stock |
| P-606833672 | AmBeed | In stock | N/A | As is | in stock |
| P-489156510 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-489214655 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596925997 | Angene | Building Blocks in stock | 95 | As is | 500 g |
| P-589660809 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-864104008 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-580702309 | BLD pharm | In-stock building blocks | 95 | As is | 62.25 g |
| P-851243380 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-868596374 | Combi-Blocks | Building Block in stock | 97 | As is | in stock |
| P-580294870 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-889115448 | FluoroChem | In Stock BB | N/A | As is | 1000 mg |
| P-500151744 | J&W Pharmlab | In-stock compounds | 95 | As is | in stock |
| P-524183826 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
| P-579614805 | LabSeeker, Inc | Stock Collection | 95 | As is | in stock |
| P-31258189 | LaboTest | Screening Collection | 90 | As is | unavailable |
| P-580461405 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-852488500 | Matrix Scientific | All | N/A | As is | in stock |
| P-500409404 | Pi Chemicals | Virtual Compounds | 97 | As is | by synthesis |
| P-596778096 | Synthonix | In-stock Building Blocks | 97 | As is | 3.07145 kg |
| P-615397069 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 173.209 |
| logP | 1.0522 |
| H-bond acceptors | 4 |
| H-bond donors | 0 |
| Rotatable bonds | 5 |
| PSA | 46.61 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 45.378 |
| Atoms | 27 |
| Rings | 0 |
| Heavy atoms | 12 |
| Hydrogen atoms | 15 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |
