MCULE-7020871408
- 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 | 37 USD | 90 | 22 working days | Get Quote |
5 mg | 45 USD | 90 | 22 working days | Get Quote |
10 mg | 60 USD | 90 | 22 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-7020871408.sdf |
SMILES | MCULE-7020871408.smiles |
Standard InChI | MCULE-7020871408.inchi |
InChIKey | MCULE-7020871408.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-893110233 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-867403072 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-489117707 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-4172674 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 100 mg |
P-608220600 | Glentham Life Sciences | Compounds maintained in stock | 97 | As is | in stock |
P-870651464 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
P-870651465 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
P-870651466 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
P-870651467 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
P-524161295 | Key Organics | Building Blocks | 98 | As is | 25 g |
P-855935192 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
P-899783412 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
P-856005450 | Key Organics | Screening Compounds and Fragments | 98 | As is | 100 mg |
P-31256652 | LaboTest | Screening Collection | 90 | As is | unavailable |
P-885532961 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-453913446 | Specs | Screening Compounds | 90 | As is | 21.611 g |
P-33162021 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 123 mg |
P-893841623 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
P-893829794 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
P-893830522 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
P-893826175 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 282.288 |
logP | 0.1937 |
H-bond acceptors | 6 |
H-bond donors | 2 |
Rotatable bonds | 2 |
PSA | 77.38 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 67.4926 |
Atoms | 38 |
Rings | 3 |
Heavy atoms | 20 |
Hydrogen atoms | 18 |
Heteroatoms | 6 |
N/O atoms | 6 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 6 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 6 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |