MCULE-2635188796
- 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 | 19 USD | 92 | 18 working days | Get Quote |
5 mg | 29 USD | 92 | 18 working days | Get Quote |
10 mg | 36 USD | 92 | 18 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-2635188796.sdf |
SMILES | MCULE-2635188796.smiles |
Standard InChI | MCULE-2635188796.inchi |
InChIKey | MCULE-2635188796.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886105293 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-7217837 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 100 mg |
P-619302870 | ChemDiv | Discovery Chemistry Library | 90 | As is | 60 mg |
P-351268 | Chemical Block | Screening Library | 90 | As is | 442 mg |
P-34732640 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
P-428582246 | Eximed | In-stock screening compounds | 90 | As is | 830 mg |
P-502791708 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-13681644 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
P-14252632 | Life Chemicals | Screening Compounds | 90 | As is | 66 mg |
P-26376720 | Otava | In-House Stock Library | 90 | As is | 40 mg |
P-864671437 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
P-424811879 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-33450256 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-1903300 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 194 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 314.717 |
logP | 4.0387 |
H-bond acceptors | 4 |
H-bond donors | 0 |
Rotatable bonds | 3 |
PSA | 56.51 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 84.429 |
Atoms | 33 |
Rings | 3 |
Heavy atoms | 22 |
Hydrogen atoms | 11 |
Heteroatoms | 5 |
N/O atoms | 4 |
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 |