MCULE-8629762567
- 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 | 19 working days | Get Quote |
5 mg | 51 USD | 90 | 19 working days | Get Quote |
10 mg | 64 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.
Name | File |
---|---|
SDF | MCULE-8629762567.sdf |
SMILES | MCULE-8629762567.smiles |
Standard InChI | MCULE-8629762567.inchi |
InChIKey | MCULE-8629762567.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-885950131 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-5735403 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 20 mg |
P-502770468 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-14557286 | Life Chemicals | Screening Compounds | 90 | As is | 4.855 g |
P-12962675 | Otava | In-House Stock Library | 90 | As is | 482 mg |
P-19228795 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-454084391 | Specs | Screening Compounds | 90 | As is | 6 mg |
P-33898987 | TimTec | ActiMol 6 Week | 90 | As is | in stock |
P-1068541 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 450 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 277.301 |
logP | 2.8354 |
H-bond acceptors | 6 |
H-bond donors | 2 |
Rotatable bonds | 4 |
PSA | 110.53 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 69.4456 |
Atoms | 30 |
Rings | 2 |
Heavy atoms | 19 |
Hydrogen atoms | 11 |
Heteroatoms | 7 |
N/O atoms | 6 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
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 |