MCULE-5829446032
- 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 | 18 USD | 90 | 14 working days | Get Quote |
5 mg | 27 USD | 90 | 14 working days | Get Quote |
10 mg | 37 USD | 90 | 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-5829446032.sdf |
SMILES | MCULE-5829446032.smiles |
Standard InChI | MCULE-5829446032.inchi |
InChIKey | MCULE-5829446032.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-852137636 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
P-889951387 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-869290074 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-425134579 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
P-436448303 | Alinda | Building Blocks | 95 | As is | in stock |
P-851863606 | AmBeed | On request | N/A | As is | by synthesis |
P-591143281 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-893250064 | Biosynth | Synthesis | 95 | As is | by synthesis |
P-454697178 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-861535914 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-580759845 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
P-855970611 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
P-852398464 | Matrix Scientific | All | N/A | As is | in stock |
P-854917806 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-579724319 | Menai Organics | Building blocks | 90 | As is | in stock |
P-888164509 | Menai Organics | Screening compounds | 90 | As is | in stock |
P-579266794 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-873218786 | TimTec | Building Block Collection | 90 | As is | in stock |
P-888577343 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
P-611608881 | Toronto Research | In stock | 90 | As is | in stock |
P-424719118 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.04 g |
P-893841697 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 225.669 |
logP | 2.528 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 4 |
PSA | 46.17 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 60.5522 |
Atoms | 27 |
Rings | 1 |
Heavy atoms | 15 |
Hydrogen atoms | 12 |
Heteroatoms | 4 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |