MCULE-6406449957
- 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 | 17 USD | 99 | 20 working days | Get Quote |
5 mg | 17 USD | 99 | 20 working days | Get Quote |
10 mg | 17 USD | 99 | 20 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-6406449957.sdf |
SMILES | MCULE-6406449957.smiles |
Standard InChI | MCULE-6406449957.inchi |
InChIKey | MCULE-6406449957.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867599160 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
P-875756853 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-610981772 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 106 g |
P-606935953 | AmBeed | In stock | N/A | As is | in stock |
P-865912322 | Angene | Building Blocks in stock | 99 | As is | 75 g |
P-494342306 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
P-864142430 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-619603854 | BLD pharm | In-stock building blocks | 97 | As is | 24.1 g |
P-851273804 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-893622366 | Combi-Blocks | Building Block in stock | 97 | As is | in stock |
P-862137333 | FluoroChem | General BB | 95 | As is | in stock |
P-870653701 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
P-563648572 | Key Organics | Building Blocks | 95 | As is | 5 g |
P-31161695 | LaboTest | Screening Collection | 90 | As is | 500 mg |
P-580470662 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
P-852580352 | Matrix Scientific | All | N/A | As is | in stock |
P-854819843 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-34064846 | Otava | In-House Stock Library | 90 | As is | 129 mg |
P-617708111 | Otava | Chemical Building Blocks for Prompt Delivery | 90 | As is | 129 mg |
P-888892512 | PharmaBlock | In stock | N/A | As is | in stock |
P-18958614 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-611530761 | Toronto Research | In stock | 90 | As is | in stock |
P-561364 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 17 mg |
P-893986975 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 272.342 |
logP | 3.78776 |
H-bond acceptors | 4 |
H-bond donors | 0 |
Rotatable bonds | 8 |
PSA | 66.04 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 77.698 |
Atoms | 40 |
Rings | 1 |
Heavy atoms | 20 |
Hydrogen atoms | 20 |
Heteroatoms | 4 |
N/O atoms | 4 |
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 |