MCULE-3291252302-1
- 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 | 6 USD | N/A | 9 working days | Get Quote |
5 mg | 6 USD | N/A | 9 working days | Get Quote |
10 mg | 6 USD | N/A | 9 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.
-
MCULE-1501139927-0
- Component type: Main
Name | File |
---|---|
SDF | MCULE-3291252302-1.sdf |
SMILES | MCULE-3291252302-1.smiles |
Standard InChI | MCULE-3291252302-1.inchi |
InChIKey | MCULE-3291252302-1.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-892954966 | A2B Chem | Predominantly Building Block on demand | N/A | As a main component | by synthesis |
P-875722400 | AA Blocks | AA Blocks - in stock | N/A | As a main component | in stock |
P-869194063 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
P-616208123 | AK Scientific | Building Blocks | 98 | As a main component | in stock |
P-617324844 | Alinda | Stock Screening Compounds | 90 | As a main component | in stock |
P-851927354 | AmBeed | In stock | N/A | As a main component | in stock |
P-619167364 | Angene | Building Blocks in stock | 98 | As a main component | 4.445 kg |
P-866725821 | Apollo Scientific | In Stock | 95 | As a main component | 1.35 kg |
P-864164661 | AstaTech | In Stock BBs | 95 | As a main component | in stock |
P-616203942 | BLD pharm | In-stock building blocks | 97 | As a main component | 1.605 kg |
P-893223476 | Biosynth | In Stock | 95 | As a main component | in stock |
P-868593654 | Combi-Blocks | Building Block in stock | 97 | As a main component | in stock |
P-889115817 | FluoroChem | In Stock BB | 95 | As a main component | 200 g |
P-870662875 | Glentham Life Sciences | Compounds maintained in stock | 98 | As a main component | in stock |
P-855910147 | Key Organics | Building Blocks | 98 | As a main component | 25 g |
P-856040606 | LaboTest | Building Blocks | 90 | As a main component | 10 g |
P-856010783 | LaboTest | Screening Collection | 90 | As a main component | 10 g |
P-852462957 | Matrix Scientific | All | N/A | As a main component | in stock |
P-621457181 | Otava | Tangible screening compounds | 90 | As a main component | by synthesis |
P-885550575 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As a main component | by synthesis |
P-888592807 | TimTec | ActiMol 4 Week - On demand | 94 | As a main component | by resynthesis (? - ? days) |
P-854976869 | Toronto Research | In stock | 90 | As a main component | in stock |
P-893897770 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As a main component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 188.023 |
logP | 1.0073 |
H-bond acceptors | 3 |
H-bond donors | 0 |
Rotatable bonds | 2 |
PSA | 65.58 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 28.2824 |
Atoms | 11 |
Rings | 0 |
Heavy atoms | 7 |
Hydrogen atoms | 4 |
Heteroatoms | 5 |
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 |