Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4533643538
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 | 8 USD | 98 | 20 working days | Get Quote |
| 5 mg | 8 USD | 98 | 20 working days | Get Quote |
| 10 mg | 8 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-4533643538.sdf |
| SMILES | MCULE-4533643538.smiles |
| Standard InChI | MCULE-4533643538.inchi |
| InChIKey | MCULE-4533643538.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-875705082 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-590400502 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-606880445 | AmBeed | In stock | N/A | As is | in stock |
| P-596940310 | Angene | Building Blocks in stock | 98 | As is | 29.94 g |
| P-589653985 | Apollo Scientific | In Stock | 95 | As is | 10 g |
| P-864150467 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-481174196 | Atlantic Research Chemicals Ltd | In-stock Building Blocks | 95 | As is | 50 g |
| P-580721592 | BLD pharm | In-stock building blocks | 98 | As is | 31 g |
| P-901459228 | Biosynth | Synthesis | 95 | As is | by synthesis |
| P-454644628 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-577098208 | Chemcia | Stock compounds | 97 | As is | in stock |
| P-851260360 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-861278858 | Chiralstar | Chiralstar Building Blocks | 95 | As is | in stock |
| P-868577946 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-580444077 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-861982016 | FluoroChem | General BB | N/A | As is | in stock |
| P-870655922 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
| P-524182238 | Key Organics | Building Blocks | 98 | As is | 10 g |
| P-855995735 | Key Organics | Screening Compounds and Fragments | 98 | As is | 100 mg |
| P-615637434 | LabNetwork | In stock | 95 | As is | in stock |
| P-31179673 | LaboTest | Screening Collection | 90 | As is | unavailable |
| P-856042606 | LaboTest | Building Blocks | 90 | As is | unavailable |
| P-852453812 | Matrix Scientific | All | N/A | As is | in stock |
| P-854740976 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
| P-500395129 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-885538833 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-596774581 | Synthonix | In-stock Building Blocks | 98 | As is | 381 g |
| P-502366102 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-855005000 | Toronto Research | In stock | 90 | As is | in stock |
| P-615449049 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 154.123 |
| logP | 1.527 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 78.94 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 40.048 |
| Atoms | 17 |
| Rings | 1 |
| Heavy atoms | 11 |
| Hydrogen atoms | 6 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| 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 |
