MCULE-6477915992
- 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 | 45 USD | 90 | 23 working days | Get Quote |
5 mg | 73 USD | 90 | 23 working days | Get Quote |
10 mg | 87 USD | 90 | 23 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-3898366555
- Component type: Main
Name | File |
---|---|
SDF | MCULE-6477915992.sdf |
SMILES | MCULE-6477915992.smiles |
Standard InChI | MCULE-6477915992.inchi |
InChIKey | MCULE-6477915992.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-12389932 | Otava | In-House Stock Library | 90 | As is | 14 mg |
P-889904222 | AA Blocks | AA Blocks - synthesis | N/A | As a main component | by synthesis |
P-869248849 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
P-851705438 | AmBeed | On request | N/A | As a main component | by synthesis |
P-611066497 | BLD pharm | Non-stock building blocks | 95 | As a main component | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 189.296 |
logP | 3.591 |
H-bond acceptors | 1 |
H-bond donors | 1 |
Rotatable bonds | 2 |
PSA | 26.02 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 60.8814 |
Atoms | 33 |
Rings | 2 |
Heavy atoms | 14 |
Hydrogen atoms | 19 |
Heteroatoms | 1 |
N/O atoms | 1 |
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 |