Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1330133400
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 | 66 USD | 90 | 10 working days | Get Quote |
| 5 mg | 82 USD | 90 | 10 working days | Get Quote |
| 10 mg | 107 USD | 95 | 14 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-1330133400.sdf |
| SMILES | MCULE-1330133400.smiles |
| Standard InChI | MCULE-1330133400.inchi |
| InChIKey | MCULE-1330133400.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-852083660 | A2B Chem | Predominantly Building Block on demand | 90 | As is | by synthesis |
| P-890149775 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-853436050 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-851550537 | AmBeed | On request | N/A | As is | by synthesis |
| P-489111285 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-865913734 | Angene | Building Blocks in stock | 97 | As is | 31 g |
| P-869389718 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-611058188 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
| P-887182615 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-889300117 | FluoroChem | General BB | N/A | As is | in stock |
| P-505508537 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-454394071 | Key Organics | Building Blocks | 90 | As is | 5.096 g |
| P-18812934 | Key Organics | Screening Compounds and Fragments | 90 | As is | 5.096 g |
| P-854723995 | MedChemExpress | In stock Building Blocks | 95 | As is | in stock |
| P-888881707 | PharmaBlock | In stock | N/A | As is | in stock |
| P-500404544 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-855355715 | Toronto Research | In stock | 90 | As is | in stock |
| P-872753235 | eNovation Chemicals LLC | Building Blocks in stock | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 259.085 |
| logP | 2.3947 |
| H-bond acceptors | 4 |
| H-bond donors | 0 |
| Rotatable bonds | 1 |
| PSA | 40.62 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 68.704 |
| Atoms | 24 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 8 |
| Heteroatoms | 6 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
