MCULE-5326728095
- 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 | 24 USD | 95 | 24 working days | Get Quote |
5 mg | 24 USD | 95 | 24 working days | Get Quote |
10 mg | 24 USD | 95 | 24 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-9118083158
- Component type: Main
-
MCULE-8175156761
- Component type: Main
-
MCULE-8346594220
- Component type: Main
Name | File |
---|---|
SDF | MCULE-5326728095.sdf |
SMILES | MCULE-5326728095.smiles |
Standard InChI | MCULE-5326728095.inchi |
InChIKey | MCULE-5326728095.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-874655145 | AK Scientific | Building Blocks | 97 | As is | in stock |
P-596346624 | Asinex | General screening catalog | 90 | As is | 11 mg |
P-531917080 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 25 mg |
P-13061055 | InterBioScreen | Screening Compounds | 92 | As is | 297 mg |
P-854911901 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-674650153 | Pharmeks LLC | Synthetic compounds | 92 | As is | 297 mg |
P-888377157 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
P-855221433 | Toronto Research | In stock | 90 | As is | in stock |
P-886521586 | A2B Chem | Predominantly Building Block in stock | 95 | As a main component | in stock |
P-889900172 | AA Blocks | AA Blocks - synthesis | N/A | As a main component | by synthesis |
P-851527313 | AmBeed | On request | N/A | As a main component | by synthesis |
P-611032220 | BLD pharm | Non-stock building blocks | 95 | As a main component | by synthesis |
P-861387231 | Combi-Blocks | Building Block on demand | 95 | As a main component | by synthesis |
P-34795669 | Crea-Chim | HTS compounds | 90 | As a main component | unavailable |
P-862059492 | FluoroChem | General BB | 95 | As a main component | in stock |
P-895420733 | MedChemExpress | Building Blocks on demand | 95 | As a main component | by synthesis |
P-611482448 | Toronto Research | In stock | 90 | As a main component | in stock |
P-617737219 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As a main component | 170 mg |
P-893823329 | eNovation Chemicals LLC | Building Block on demand | 95 | As a main component | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 249.348 |
logP | 3.517 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 5 |
PSA | 30.49 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 73.9217 |
Atoms | 41 |
Rings | 2 |
Heavy atoms | 18 |
Hydrogen atoms | 23 |
Heteroatoms | 3 |
N/O atoms | 3 |
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 |