MCULE-6325043159
- 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 | 57 USD | N/A | 35 working days | Get Quote |
5 mg | 57 USD | N/A | 35 working days | Get Quote |
10 mg | 57 USD | N/A | 35 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-6325043159.sdf |
SMILES | MCULE-6325043159.smiles |
Standard InChI | MCULE-6325043159.inchi |
InChIKey | MCULE-6325043159.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867551746 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
P-875709634 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-597017897 | AEchem | Building blocks | 95 | As is | in stock |
P-590375267 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851778312 | AmBeed | On request | N/A | As is | by synthesis |
P-589652037 | Apollo Scientific | In Stock | 95 | As is | 183 g |
P-590973686 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-868579416 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
P-580422954 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-889110439 | FluoroChem | In Stock BB | 95 | As is | 4 g |
P-454378823 | Key Organics | Building Blocks | 95 | As is | 11.082 g |
P-18796411 | Key Organics | Screening Compounds and Fragments | 95 | As is | 11.082 g |
P-579666518 | LabSeeker, Inc | On demand Catalog | 95 | As is | by resynthesis (? - ? days) |
P-856021608 | LaboTest | Screening Collection | 90 | As is | unavailable |
P-852378949 | Matrix Scientific | All | N/A | As is | in stock |
P-35175817 | Maybridge | Screening Collection | 90 | As is | 892 g |
P-854923912 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-500389953 | Pi Chemicals | Virtual Compounds | 97 | As is | by synthesis |
P-502372585 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611427200 | Toronto Research | In stock | 90 | As is | in stock |
P-575310559 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 236.627 |
logP | 3.31418 |
H-bond acceptors | 3 |
H-bond donors | 0 |
Rotatable bonds | 1 |
PSA | 49.82 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 56.588 |
Atoms | 22 |
Rings | 2 |
Heavy atoms | 16 |
Hydrogen atoms | 6 |
Heteroatoms | 5 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 2 |
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 |