MCULE-6825955725-0
- 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 | 52 USD | 97 | 17 working days | Get Quote |
5 mg | 52 USD | 97 | 17 working days | Get Quote |
10 mg | 52 USD | 97 | 17 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-6825955725-0.sdf |
SMILES | MCULE-6825955725-0.smiles |
Standard InChI | MCULE-6825955725-0.inchi |
InChIKey | MCULE-6825955725-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-872830774 | A2B Chem | Predominantly Building Block in stock | N/A | As is | in stock |
P-875798894 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-869211513 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-866101484 | Advanced Chemical Intermediates (ACI) | ACI predominantly BB catalog | 95 | As is | unavailable |
P-851521236 | AmBeed | On request | N/A | As is | by synthesis |
P-494306525 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
P-892506182 | Atlantic Research Chemicals Ltd | Building Blocks (on-demand) | 95 | As is | by synthesis |
P-611120527 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-580281868 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-861923695 | FluoroChem | General BB | N/A | As is | in stock |
P-18794941 | Key Organics | Screening Compounds and Fragments | 90 | As is | 17.277 g |
P-869377076 | Matrix Scientific | All | N/A | As is | in stock |
P-519760909 | Maybridge | Maybridge Building Blocks | 97 | As is | 29.2 g |
P-35176282 | Maybridge | Screening Collection | 97 | As is | 29.2 kg |
P-502408519 | TimTec | Building Block Collection | 90 | As is | in stock |
P-855223618 | Toronto Research | In stock | 90 | As is | in stock |
P-893871245 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 254.643 |
logP | 3.2417 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 2 |
PSA | 69.12 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 59.9679 |
Atoms | 25 |
Rings | 2 |
Heavy atoms | 17 |
Hydrogen atoms | 8 |
Heteroatoms | 6 |
N/O atoms | 4 |
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 |