MCULE-9599251992
- 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 | 33 USD | 90 | 19 working days | Get Quote |
5 mg | 45 USD | 90 | 22 working days | Get Quote |
10 mg | 60 USD | 90 | 22 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.
-
1
MCULE-3765888723
- Component type: Main
-
1
MCULE-6124492894
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-9599251992.sdf |
SMILES | MCULE-9599251992.smiles |
Standard InChI | MCULE-9599251992.inchi |
InChIKey | MCULE-9599251992.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-7420808 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 100 mg |
P-675484450 | Innovapharm | Building Blocks | 95 | As is | in stock |
P-580010192 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-675256571 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-675523649 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
P-675528983 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
P-24333851 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
P-13665935 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
P-856073182 | Princeton Biomolecular Research | Building Block Stock | 95 | As is | 1000 mg |
P-617604975 | Specs | Screening Compounds | 90 | As is | 55 mg |
P-617772747 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 125 mg |
Property | Value |
---|---|
Components | 2 |
Mass | 269.180 |
logP | 3.6218 |
H-bond acceptors | 2 |
H-bond donors | 1 |
Rotatable bonds | 2 |
PSA | 27.09 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 73.9287 |
Atoms | 32 |
Rings | 2 |
Heavy atoms | 15 |
Hydrogen atoms | 17 |
Heteroatoms | 3 |
N/O atoms | 2 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 1 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 1 |
Undefined stereo double bonds | 0 |