MCULE-1255808387
- 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-1255808387.sdf |
SMILES | MCULE-1255808387.smiles |
Standard InChI | MCULE-1255808387.inchi |
InChIKey | MCULE-1255808387.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-13995652 | InterBioScreen | Natural Compounds | 92 | As is | 300 mg |
P-654718322 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
P-13742077 | Pharmeks LLC | Semi-natural compounds | 92 | As is | 300 mg |
P-578105181 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 57 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 459.536 |
logP | 4.4233 |
H-bond acceptors | 7 |
H-bond donors | 2 |
Rotatable bonds | 10 |
PSA | 79.9 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 134.9944 |
Atoms | 63 |
Rings | 4 |
Heavy atoms | 34 |
Hydrogen atoms | 29 |
Heteroatoms | 7 |
N/O atoms | 7 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 1 |
R/S chiral centers | 1 |
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 |