MCULE-7933153856
- 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 | 35 USD | 90 | 17 working days | Get Quote |
5 mg | 53 USD | 90 | 17 working days | Get Quote |
10 mg | 67 USD | 90 | 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-7933153856.sdf |
SMILES | MCULE-7933153856.smiles |
Standard InChI | MCULE-7933153856.inchi |
InChIKey | MCULE-7933153856.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-893006794 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-851396131 | AmBeed | On request | N/A | As is | by synthesis |
P-869991561 | Asinex | General screening catalog | 90 | As is | 1000 mg |
P-590723415 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-502905692 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-641749390 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
P-19046915 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-453937682 | Specs | Screening Compounds | 90 | As is | 125 mg |
P-23341358 | TimTec | ActiMol 6 Week | 90 | As is | in stock |
P-888371835 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
P-780212 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 94 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 257.302 |
logP | 4.2744 |
H-bond acceptors | 2 |
H-bond donors | 1 |
Rotatable bonds | 4 |
PSA | 29.1 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 75.1942 |
Atoms | 35 |
Rings | 2 |
Heavy atoms | 19 |
Hydrogen atoms | 16 |
Heteroatoms | 3 |
N/O atoms | 2 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |