MCULE-9250355534
- 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-9250355534.sdf |
SMILES | MCULE-9250355534.smiles |
Standard InChI | MCULE-9250355534.inchi |
InChIKey | MCULE-9250355534.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-4964965 | ChemDiv | Discovery Chemistry Library | 90 | As is | 23 mg |
P-127208 | Chemical Block | Screening Library | 90 | As is | 179 mg |
P-34677136 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
P-641068305 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
P-24030369 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-22581954 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-2350794 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 55 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 427.363 |
logP | 3.448 |
H-bond acceptors | 11 |
H-bond donors | 2 |
Rotatable bonds | 8 |
PSA | 169.48 |
RO5 violations | 1 |
RO3 violations | 5 |
Refractivity | 114.7661 |
Atoms | 48 |
Rings | 3 |
Heavy atoms | 31 |
Hydrogen atoms | 17 |
Heteroatoms | 11 |
N/O atoms | 11 |
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 |