MCULE-1133105377
- 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 | 41 USD | 99 | 19 working days | Get Quote |
5 mg | 41 USD | 99 | 19 working days | Get Quote |
10 mg | 54 USD | 95 | 21 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.
-
1
MCULE-8690625159
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-1133105377.sdf |
SMILES | MCULE-1133105377.smiles |
Standard InChI | MCULE-1133105377.inchi |
InChIKey | MCULE-1133105377.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867672934 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-535624658 | AK Scientific | Building Blocks | 99 | As is | in stock |
P-505395399 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-872693938 | Alinda | Building Blocks | 95 | As is | 5 g |
P-489139290 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-872724300 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
P-864306679 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-860054685 | AvaChem Scientific | On demand | 95 | As is | by synthesis |
P-505577837 | Bosche Scientific | Bosche Products | 98 | As is | in stock |
P-580450364 | CliniSciences S.A.S | All products | 99 | As is | in stock |
P-608220718 | Glentham Life Sciences | Compounds maintained in stock | 99 | As is | in stock |
P-870662065 | Glentham Life Sciences | Compounds typically in stock | 99 | As is | in stock |
P-890851244 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-890851984 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-524444086 | Key Organics | Biochemicals | 97 | As is | unavailable |
P-856017400 | LaboTest | Screening Collection | 90 | As is | 500 mg |
P-584623415 | MedKoo | In stock compounds | 95 | As is | in stock |
P-888171875 | Molnova | On demand | 98 | As is | by synthesis |
P-881187987 | Otava | In-House Stock Library | 90 | As is | 200 mg |
P-881189431 | Otava | In-House Stock Library | 90 | As is | 50 mg |
P-33163734 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 1000 mg |
P-611429277 | Toronto Research | In stock | 90 | As is | in stock |
P-889901807 | AA Blocks | AA Blocks - synthesis | N/A | Main component | by synthesis |
P-903029083 | Aaron Chemicals LLC | Predominantly Building Block | 96 | Main component | 15 g |
P-888813847 | Angene | Building Blocks in stock | 96 | Main component | 6 g |
P-889849523 | AstaTech | Backordered BBs | 95 | Main component | by synthesis |
P-901649248 | Combi-Blocks | Building Block in stock | 95 | Main component | in stock |
P-505495473 | Hangzhou Apichem | Building Blocks in stock | 95 | Main component | in stock |
P-892260771 | TargetMol | Screening Compounds - synthesis | 95 | Main component | by synthesis |
P-892342254 | TargetMol | Screening Compounds - stock amount | 95 | Main component | unavailable |
Property | Value |
---|---|
Components | 2 |
Mass | 296.834 |
logP | 3.4171 |
H-bond acceptors | 3 |
H-bond donors | 2 |
Rotatable bonds | 3 |
PSA | 44.62 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 95.6327 |
Atoms | 45 |
Rings | 2 |
Heavy atoms | 20 |
Hydrogen atoms | 25 |
Heteroatoms | 4 |
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 |