MCULE-1753942657
- 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 | 63 USD | 95 | 37 working days | Get Quote |
5 mg | 155 USD | 95 | 37 working days | Get Quote |
10 mg | 196 USD | 95 | 19 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-7503316765
- Component type: Main
-
MCULE-5233646069
- Component type: Main
Name | File |
---|---|
SDF | MCULE-1753942657.sdf |
SMILES | MCULE-1753942657.smiles |
Standard InChI | MCULE-1753942657.inchi |
InChIKey | MCULE-1753942657.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-869353591 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851434627 | AmBeed | On request | N/A | As is | by synthesis |
P-889521591 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-868079483 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
P-855344706 | Toronto Research | In stock | 90 | As is | in stock |
P-867622026 | A2B Chem | Predominantly Building Block in stock | 98 | As a main component | in stock |
P-875784346 | AA Blocks | AA Blocks | N/A | As a main component | in stock |
P-869271170 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
P-851855041 | AmBeed | On request | N/A | As a main component | by synthesis |
P-606888205 | AmBeed | In stock | N/A | As a main component | in stock |
P-596964653 | Angene | Building Blocks in stock | 98 | As a main component | 145 mg |
P-881653949 | Apexbio Technology | Bioactive Compound Library | 98 | As a main component | in stock |
P-864252622 | AstaTech | Backordered BBs | 95 | As a main component | by synthesis |
P-864177217 | AstaTech | In Stock BBs | 95 | As a main component | in stock |
P-868544834 | Axon Medchem | Axon predominantly SC catalog | 99 | As a main component | in stock |
P-868543863 | Axon Medchem | Axon predominantly SC catalog | 99 | As a main component | in stock |
P-888654181 | TargetMol | Screening Compounds | 95 | As a main component | by synthesis |
P-888654187 | TargetMol | Screening Compounds | 95 | As a main component | by synthesis |
P-869158349 | TargetMol | Screening Compounds - stock amount | 95 | As a main component | in stock |
P-869158360 | TargetMol | Screening Compounds - stock amount | 95 | As a main component | in stock |
P-611470891 | Toronto Research | In stock | 90 | As a main component | in stock |
P-611461237 | Toronto Research | In stock | 90 | As a main component | in stock |
P-855245881 | Toronto Research | In stock | 90 | As a main component | in stock |
P-868497572 | eNovation Chemicals LLC | Building Blocks in stock | 98 | As a main component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 468.546 |
logP | 3.8425 |
H-bond acceptors | 7 |
H-bond donors | 1 |
Rotatable bonds | 2 |
PSA | 68.5 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 140.6537 |
Atoms | 63 |
Rings | 6 |
Heavy atoms | 35 |
Hydrogen atoms | 28 |
Heteroatoms | 7 |
N/O atoms | 7 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 1 |
R/S chiral centers | 1 |
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 |