MCULE-5451577697
- 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 | 13 USD | 98 | 11 working days | Get Quote |
5 mg | 13 USD | 98 | 11 working days | Get Quote |
10 mg | 13 USD | 98 | 11 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-5693234467
- Component type: Main
-
MCULE-8446813984
- Component type: Main
Name | File |
---|---|
SDF | MCULE-5451577697.sdf |
SMILES | MCULE-5451577697.smiles |
Standard InChI | MCULE-5451577697.inchi |
InChIKey | MCULE-5451577697.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-612827749 | A2B Chem | Predominantly Building Block on demand | 96 | As is | by synthesis |
P-875757890 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-590367176 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-893237570 | Biosynth | In Stock | 95 | As is | in stock |
P-619929520 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
P-868609737 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
P-870661758 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
P-596587343 | Key Organics | Building Blocks | 90 | As is | 500 mg |
P-856044082 | LaboTest | Building Blocks | 90 | As is | 10 g |
P-31276767 | LaboTest | Screening Collection | 90 | As is | 10 g |
P-852467851 | Matrix Scientific | All | N/A | As is | in stock |
P-584613724 | MedKoo | In stock compounds | 95 | As is | in stock |
P-19663496 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-885523322 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-611463494 | Toronto Research | In stock | 90 | As is | in stock |
P-3090571 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 2.52 g |
P-3226236 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 2.52 g |
P-892863644 | A2B Chem | Predominantly Building Block in stock | 99 | As a main component | in stock |
P-869184703 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
P-590412255 | AK Scientific | Building Blocks | 98 | As a main component | in stock |
P-894617082 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
P-617323666 | Alinda | Stock Screening Compounds | 90 | As a main component | in stock |
P-861386337 | Combi-Blocks | Building Block on demand | 95 | As a main component | by synthesis |
P-868605486 | Combi-Blocks | Building Block in stock | 98 | As a main component | in stock |
P-852505430 | Matrix Scientific | All | N/A | As a main component | in stock |
P-895249882 | MedChemExpress | Building Blocks on demand | 95 | As a main component | by synthesis |
P-888453777 | TimTec | ActiMol 4 Week - On demand | 94 | As a main component | by resynthesis (? - ? days) |
P-611463495 | Toronto Research | In stock | 90 | As a main component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 255.477 |
logP | 3.1102 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 46.53 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 54.5428 |
Atoms | 19 |
Rings | 1 |
Heavy atoms | 14 |
Hydrogen atoms | 5 |
Heteroatoms | 6 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 3 |
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 |