Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2039912033-0
Structure
Show compound
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 | 39 USD | 95 | 15 working days | Get Quote |
| 5 mg | 47 USD | 95 | 15 working days | Get Quote |
| 10 mg | 47 USD | 95 | 15 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-2039912033-0.sdf |
| SMILES | MCULE-2039912033-0.smiles |
| Standard InChI | MCULE-2039912033-0.inchi |
| InChIKey | MCULE-2039912033-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867630400 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875794129 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-892789791 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-903146049 | Aaron Chemicals LLC | Predominantly Building Block | 98 | As is | 10 g |
| P-893601314 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 55.15 g |
| P-878260766 | AmBeed | In stock | N/A | As is | in stock |
| P-873294726 | Angene | Building Blocks in stock | 95 | As is | 25 g |
| P-895939003 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-889788804 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-878234533 | BLD pharm | In-stock building blocks | 95 | As is | 19.479 g |
| P-492268770 | ChemBridge | Building Block Library | 95 | As is | in stock |
| P-901647834 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
| P-861965273 | FluoroChem | General BB | N/A | As is | in stock |
| P-12636469 | InterBioScreen | Screening Compounds | 95 | As is | 136 mg |
| P-855948553 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
| P-872796663 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
| P-888895792 | PharmaBlock | In stock | N/A | As is | in stock |
| P-19124923 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-498641288 | SV CHEMBIOTECH | SV Chembiotech Products | 95 | As is | by synthesis |
| P-12861048 | Specs | Screening Compounds | 90 | As is | 6 mg |
| P-611611073 | Toronto Research | In stock | 90 | As is | in stock |
| P-3241625 | VITAS M CHEMICAL LIMITED | Collections of Fragments for Fragment-based Drug Discovery | 90 | As is | 100 mg |
| P-879153 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 100 mg |
| P-868535868 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 229.274 |
| logP | 3.1007 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 42.23 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 67.6263 |
| Atoms | 32 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 15 |
| 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 |
