MCULE-1531923294-0
- 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 | 23 working days | Get Quote |
5 mg | 51 USD | 90 | 19 working days | Get Quote |
10 mg | 65 USD | 90 | 19 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-1531923294-0.sdf |
SMILES | MCULE-1531923294-0.smiles |
Standard InChI | MCULE-1531923294-0.inchi |
InChIKey | MCULE-1531923294-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867385556 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
P-3986136 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 100 mg |
P-577211225 | ChemDiv | Discovery Chemistry Library | 90 | As is | 2 mg |
P-428573097 | Eximed | In-stock screening compounds | 90 | As is | 700 mg |
P-580088411 | Eximed | Building Block Catalog | 95 | As is | 700 mg |
P-870579421 | Innovapharm | Building Blocks | 95 | As is | in stock |
P-502956531 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-13633842 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
P-26390368 | Otava | In-House Stock Library | 90 | As is | 700 mg |
P-620217517 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 700 mg |
P-13801493 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
P-856072137 | Princeton Biomolecular Research | Building Block Stock | 95 | As is | 700 mg |
P-19356525 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-1900585 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 71 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 236.267 |
logP | 2.0881 |
H-bond acceptors | 5 |
H-bond donors | 2 |
Rotatable bonds | 7 |
PSA | 69.64 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 65.0395 |
Atoms | 33 |
Rings | 1 |
Heavy atoms | 17 |
Hydrogen atoms | 16 |
Heteroatoms | 5 |
N/O atoms | 5 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
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 |