MCULE-6540978794
- 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 | 34 USD | 90 | 19 working days | Get Quote |
5 mg | 51 USD | 90 | 19 working days | Get Quote |
10 mg | 65 USD | 90 | 19 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.
-
1
MCULE-7511166800
- Component type: Main
-
1
MCULE-6647815245
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-6540978794.sdf |
SMILES | MCULE-6540978794.smiles |
Standard InChI | MCULE-6540978794.inchi |
InChIKey | MCULE-6540978794.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-892482209 | Asinex | General screening catalog | 90 | As is | unavailable |
P-674228637 | ChemDiv | Discovery Chemistry Library | 90 | As is | 6 mg |
P-34561461 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
P-617746469 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 124 mg |
P-886509745 | A2B Chem | Predominantly Building Block on demand | 95 | Main component | by synthesis |
P-890132446 | AA Blocks | AA Blocks - synthesis | N/A | Main component | by synthesis |
P-596492825 | Asinex | General bb catalog | 90 | Main component | unavailable |
P-654853300 | Otava | Tangible screening compounds | 90 | Main component | by synthesis |
P-454228284 | Specs | Screening Compounds | 90 | Main component | 103 mg |
P-888376402 | TimTec | ActiMol 4 Week - On demand | 94 | Main component | by resynthesis (? - ? days) |
Property | Value |
---|---|
Components | 2 |
Mass | 366.408 |
logP | 1.2829 |
H-bond acceptors | 8 |
H-bond donors | 2 |
Rotatable bonds | 6 |
PSA | 107.38 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 103.5571 |
Atoms | 52 |
Rings | 2 |
Heavy atoms | 26 |
Hydrogen atoms | 26 |
Heteroatoms | 8 |
N/O atoms | 8 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |