MCULE-2050069204
- 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 | 34 USD | 90 | 19 working days | Get Quote |
5 mg | 35 USD | 95 | 14 working days | Get Quote |
10 mg | 41 USD | 95 | 14 working days | Get Quote |
- 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-2050069204.sdf |
SMILES | MCULE-2050069204.smiles |
Standard InChI | MCULE-2050069204.inchi |
InChIKey | MCULE-2050069204.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-852138361 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
P-889951600 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-894674686 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-436455257 | Alinda | Building Blocks | 95 | As is | 1000 mg |
P-851453097 | AmBeed | On request | N/A | As is | by synthesis |
P-590757394 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-893362024 | ChemDiv | Pre-weighted stock BB | 90 | As is | 1000 mg |
P-454704038 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-619832973 | ChemDiv | Discovery Chemistry Library | 90 | As is | 25 mg |
P-861533420 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-596599148 | Key Organics | Building Blocks | 90 | As is | 500 mg |
P-852409317 | Matrix Scientific | All | N/A | As is | in stock |
P-854924268 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-12954280 | Otava | In-House Stock Library | 90 | As is | 2.348 g |
P-492285485 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 2.348 g |
P-579266375 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-885531805 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-855303664 | Toronto Research | In stock | 90 | As is | in stock |
P-596545028 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1000 mg |
P-578054372 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1000 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 325.129 |
logP | 3.8654 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 4 |
PSA | 46.53 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 72.0383 |
Atoms | 29 |
Rings | 2 |
Heavy atoms | 19 |
Hydrogen atoms | 10 |
Heteroatoms | 5 |
N/O atoms | 3 |
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 |