MCULE-7965642497
- 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 | 637 USD | 95 | 37 working days | Get Quote |
5 mg | 1482 USD | 95 | 37 working days | Get Quote |
10 mg | 1931 USD | 95 | 37 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-7965642497.sdf |
SMILES | MCULE-7965642497.smiles |
Standard InChI | MCULE-7965642497.inchi |
InChIKey | MCULE-7965642497.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-874630304 | AK Scientific | Building Blocks | 97 | As is | in stock |
P-891656997 | AmBeed | On request | N/A | As is | by synthesis |
P-889520556 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-888629316 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
P-869111365 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
P-611394618 | Toronto Research | In stock | 90 | As is | in stock |
P-868516777 | eNovation Chemicals LLC | Building Blocks in stock | 97 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 429.512 |
logP | 2.3306 |
H-bond acceptors | 9 |
H-bond donors | 5 |
Rotatable bonds | 11 |
PSA | 148.61 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 120.3283 |
Atoms | 62 |
Rings | 3 |
Heavy atoms | 31 |
Hydrogen atoms | 31 |
Heteroatoms | 9 |
N/O atoms | 9 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 2 |
R/S chiral centers | 2 |
Unknown chiral centers | 0 |
Undefined chiral centers | 0 |
Stereo double bonds | 1 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 1 |