MCULE-3619809994
- 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 | 97 USD | 90 | 17 working days | Get Quote |
10 mg | 130 USD | 90 | 27 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-3619809994.sdf |
SMILES | MCULE-3619809994.smiles |
Standard InChI | MCULE-3619809994.inchi |
InChIKey | MCULE-3619809994.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-4748360 | ChemDiv | Discovery Chemistry Library | 90 | As is | 7 mg |
P-24015217 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-33502879 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-892359347 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 442.291 |
logP | 5.1251 |
H-bond acceptors | 6 |
H-bond donors | 2 |
Rotatable bonds | 9 |
PSA | 79.79 |
RO5 violations | 1 |
RO3 violations | 5 |
Refractivity | 117.7344 |
Atoms | 47 |
Rings | 3 |
Heavy atoms | 30 |
Hydrogen atoms | 17 |
Heteroatoms | 8 |
N/O atoms | 6 |
Inorganic atoms | 0 |
Halogen atoms | 2 |
Chiral centers | 0 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 0 |
Stereo double bonds | 1 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 1 |
Undefined stereo double bonds | 0 |