MCULE-7777790717
- 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 | 70 USD | 90 | 22 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.
-
MCULE-9773097401
- Component type: Main
Name | File |
---|---|
SDF | MCULE-7777790717.sdf |
SMILES | MCULE-7777790717.smiles |
Standard InChI | MCULE-7777790717.inchi |
InChIKey | MCULE-7777790717.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-4559045 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 25 mg |
P-888376240 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
P-892483877 | Asinex | General screening catalog | 90 | As a main component | unavailable |
P-674260232 | ChemDiv | Discovery Chemistry Library | 90 | As a main component | 5 mg |
P-34559051 | Crea-Chim | HTS compounds | 90 | As a main component | unavailable |
P-675075839 | Princeton Biomolecular Research | Screening Compounds | 90 | As a main component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 270.412 |
logP | 2.8686 |
H-bond acceptors | 2 |
H-bond donors | 0 |
Rotatable bonds | 3 |
PSA | 6.48 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 91.565 |
Atoms | 46 |
Rings | 4 |
Heavy atoms | 20 |
Hydrogen atoms | 26 |
Heteroatoms | 2 |
N/O atoms | 2 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 3 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 3 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |