MCULE-8245870814
- 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 | 8 USD | 98 | 9 working days | Get Quote |
5 mg | 8 USD | 98 | 9 working days | Get Quote |
10 mg | 8 USD | 98 | 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-5521908306
- Component type: Main
Name | File |
---|---|
SDF | MCULE-8245870814.sdf |
SMILES | MCULE-8245870814.smiles |
Standard InChI | MCULE-8245870814.inchi |
InChIKey | MCULE-8245870814.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-489175812 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-590598707 | BLD pharm | In-stock building blocks | 98 | As is | 651 g |
P-868594257 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
P-861976604 | FluoroChem | General BB | N/A | As is | in stock |
P-493677631 | Iris Biotech GmbH | Building Block Library | N/A | As is | in stock |
P-862396073 | BLD pharm | Non-stock building blocks | 97 | As a main component | by synthesis |
P-852136006 | A2B Chem | Predominantly Building Block on demand | 90 | As an isomer | by synthesis |
P-851751364 | AmBeed | On request | N/A | As an isomer | by synthesis |
P-489186111 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As an isomer | in stock |
P-675656614 | BLD pharm | Non-stock building blocks | 98 | As an isomer | by synthesis |
P-500418506 | Glentham Life Sciences | Compounds typically in stock | 98 | As an isomer | in stock |
P-579484441 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As an isomer | in stock |
P-563579785 | Key Organics | Building Blocks | 97 | As an isomer | 1000 mg |
P-454420073 | Key Organics | Building Blocks | 90 | As an isomer | 100 mg |
P-524165744 | Key Organics | Building Blocks | 98 | As an isomer | 25 g |
P-454356610 | Key Organics | Screening Compounds and Fragments | 90 | As an isomer | 100 mg |
P-579631419 | LabSeeker, Inc | On demand Catalog | 98 | As an isomer | by resynthesis (? - ? days) |
P-852489639 | Matrix Scientific | All | N/A | As an isomer | in stock |
P-620055188 | Otava | In-House Stock Library | 90 | As an isomer | 1000 mg |
P-620222024 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As an isomer | 1000 mg |
P-491121879 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As an isomer | by synthesis |
P-22514203 | TimTec | ActiMol 1 Week - Stock | 90 | As an isomer | 1000 mg |
P-611495932 | Toronto Research | In stock | 90 | As an isomer | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 211.283 |
logP | 2.032 |
H-bond acceptors | 3 |
H-bond donors | 2 |
Rotatable bonds | 5 |
PSA | 88.62 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 57.8992 |
Atoms | 27 |
Rings | 1 |
Heavy atoms | 14 |
Hydrogen atoms | 13 |
Heteroatoms | 4 |
N/O atoms | 3 |
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 |