Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4040231132
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 | 97 | 22 working days | Get Quote |
| 5 mg | 5 USD | 97 | 22 working days | Get Quote |
| 10 mg | 5 USD | 97 | 22 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-4040231132.sdf |
| SMILES | MCULE-4040231132.smiles |
| Standard InChI | MCULE-4040231132.inchi |
| InChIKey | MCULE-4040231132.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867556640 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
| P-875715855 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-505348059 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-881671244 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-580238902 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
| P-606937296 | AmBeed | In stock | N/A | As is | in stock |
| P-489105409 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596943634 | Angene | Building Blocks in stock | 98 | As is | 2 kg |
| P-494418799 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-864111274 | AstaTech | In Stock BBs | 97 | As is | in stock |
| P-580698039 | BLD pharm | In-stock building blocks | 97 | As is | 1.25 kg |
| P-893236090 | Biosynth | In Stock | 95 | As is | in stock |
| P-868577163 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-580414461 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-862031734 | FluoroChem | General BB | 97 | As is | in stock |
| P-505515136 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-454404983 | Key Organics | Building Blocks | 97 | As is | 5.002 g |
| P-855998491 | Key Organics | Screening Compounds and Fragments | 97 | As is | 5.002 g |
| P-31257763 | LaboTest | Screening Collection | 90 | As is | 500 mg |
| P-854766512 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-500397143 | Pi Chemicals | Virtual Compounds | 97 | As is | by synthesis |
| P-885517810 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-596787320 | Synthonix | In-stock Building Blocks | 97 | As is | 1.4229 kg |
| P-502370945 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611451387 | Toronto Research | In stock | 90 | As is | in stock |
| P-588736132 | VITAS M CHEMICAL LIMITED | Virtual synthesis library | N/A | As is | by synthesis |
| P-893897213 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 180.200 |
| logP | 2.1736 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 46.53 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 49.5073 |
| Atoms | 25 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 12 |
| Heteroatoms | 3 |
| 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 |
