MCULE-3998271570
- 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 | 10 USD | 98 | 16 working days | Get Quote |
5 mg | 10 USD | 98 | 16 working days | Get Quote |
10 mg | 10 USD | 98 | 16 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-3998271570.sdf |
SMILES | MCULE-3998271570.smiles |
Standard InChI | MCULE-3998271570.inchi |
InChIKey | MCULE-3998271570.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-869189905 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-869334225 | AK Scientific | Building Blocks | 99 | As is | in stock |
P-505393605 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-606930736 | AmBeed | In stock | N/A | As is | in stock |
P-864155531 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-580695536 | BLD pharm | In-stock building blocks | 98 | As is | 1.7 kg |
P-868577689 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
P-580304674 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-861980529 | FluoroChem | General BB | N/A | As is | in stock |
P-870661764 | Glentham Life Sciences | Compounds typically in stock | 98 | As is | in stock |
P-454393115 | Key Organics | Building Blocks | 97 | As is | 8 g |
P-454301416 | Key Organics | Screening Compounds and Fragments | 97 | As is | 100 mg |
P-852450973 | Matrix Scientific | All | N/A | As is | in stock |
P-492276362 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 1.479 g |
P-34009506 | Otava | In-House Stock Library | 90 | As is | 1.479 g |
P-500373703 | Pi Chemicals | Virtual Compounds | 95 | As is | by synthesis |
P-502350207 | TimTec | Building Block Collection | 90 | As is | in stock |
P-22519230 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 965 mg |
P-611434223 | Toronto Research | In stock | 90 | As is | in stock |
P-575326241 | eNovation Chemicals LLC | Building Blocks in stock | 97 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 164.200 |
logP | 2.1831 |
H-bond acceptors | 2 |
H-bond donors | 1 |
Rotatable bonds | 2 |
PSA | 37.3 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 47.7598 |
Atoms | 24 |
Rings | 1 |
Heavy atoms | 12 |
Hydrogen atoms | 12 |
Heteroatoms | 2 |
N/O atoms | 2 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
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 |