Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5743460563-0
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 | 21 USD | N/A | 22 working days | Get Quote |
| 5 mg | 21 USD | N/A | 22 working days | Get Quote |
| 10 mg | 21 USD | N/A | 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.
-
1
MCULE-6550362020-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5743460563-0.sdf |
| SMILES | MCULE-5743460563-0.smiles |
| Standard InChI | MCULE-5743460563-0.inchi |
| InChIKey | MCULE-5743460563-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-617758901 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 79 mg |
| P-886629750 | A2B Chem | Predominantly Building Block in stock | 98 | Main component | in stock |
| P-867519014 | A2B Chem | Predominantly Building Block on demand | N/A | Main component | by synthesis |
| P-875813179 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
| P-869190439 | AK Scientific | Building Blocks | 95 | Main component | in stock |
| P-535622492 | AK Scientific | Building Blocks | 98 | Main component | in stock |
| P-865923572 | Angene | Building Blocks in stock | 98 | Main component | 100 g |
| P-494326667 | Apollo Scientific | On request | 95 | Main component | by resynthesis (? - ? days) |
| P-870062138 | Asinex | General screening catalog | 90 | Main component | 1000 mg |
| P-596510446 | Asinex | General bb catalog | 90 | Main component | 1000 mg |
| P-869392034 | AstaTech | In Stock BBs | 95 | Main component | in stock |
| P-577169252 | ChemDiv | Building Blocks on demand | 90 | Main component | by synthesis |
| P-868566668 | Combi-Blocks | Building Block in stock | 98 | Main component | in stock |
| P-580431713 | Debye Scientific | General Catalog | 95 | Main component | by resynthesis (? - ? days) |
| P-861928432 | FluoroChem | General BB | N/A | Main component | in stock |
| P-502508948 | Innovapharm | Virtual Building Blocks | 95 | Main component | by synthesis |
| P-502849950 | Innovapharm | Screening Compounds | 90 | Main component | in stock |
| P-492235155 | Innovapharm | Building Blocks | 95 | Main component | in stock |
| P-454386111 | Key Organics | Building Blocks | 95 | Main component | 173 mg |
| P-454286826 | Key Organics | Screening Compounds and Fragments | 95 | Main component | 173 mg |
| P-852401575 | Matrix Scientific | All | N/A | Main component | in stock |
| P-35228391 | Maybridge | Screening Collection | 90 | Main component | 631 g |
| P-12913229 | Otava | In-House Stock Library | 90 | Main component | 50 mg |
| P-492284636 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | Main component | 471 mg |
| P-453914908 | Specs | Screening Compounds | 90 | Main component | 21 mg |
| P-502340251 | TimTec | Building Block Collection | 90 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 209.674 |
| logP | 3.3505 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 54.7 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 60.3591 |
| Atoms | 26 |
| Rings | 2 |
| Heavy atoms | 14 |
| Hydrogen atoms | 12 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
