MCULE-7100706267
- 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 | 5 USD | 98 | 22 working days | Get Quote |
5 mg | 7 USD | 98 | 20 working days | Get Quote |
10 mg | 7 USD | 98 | 20 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-7100706267.sdf |
SMILES | MCULE-7100706267.smiles |
Standard InChI | MCULE-7100706267.inchi |
InChIKey | MCULE-7100706267.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867560931 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-875721630 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-869187938 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-505354428 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-580237068 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
P-606860855 | AmBeed | In stock | N/A | As is | in stock |
P-596927794 | Angene | Building Blocks in stock | 98 | As is | 75 g |
P-580195427 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
P-881655155 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
P-864085175 | AstaTech | In Stock BBs | 97 | As is | in stock |
P-505521153 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
P-505494552 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
P-583850844 | InterBioScreen | Bioactive compounds | 92 | As is | in stock |
P-500395964 | Pi Chemicals | Virtual Compounds | 97 | As is | by synthesis |
P-579703162 | Sinova Inc. | In-stock Building Blocks | N/A | As is | in stock |
P-892235638 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
P-869176147 | TargetMol | Natural Products | 95 | As is | in stock |
P-892292515 | TargetMol | In Stock BB | 95 | As is | 1.097 g |
P-892326518 | TargetMol | Screening Compounds - stock amount | 95 | As is | 1.097 g |
P-611421959 | Toronto Research | In stock | 90 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 364.350 |
logP | 1.7852 |
H-bond acceptors | 7 |
H-bond donors | 2 |
Rotatable bonds | 1 |
PSA | 101.65 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 97.3378 |
Atoms | 43 |
Rings | 5 |
Heavy atoms | 27 |
Hydrogen atoms | 16 |
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 |