MCULE-3380175042
- 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 | 48 USD | 90 | 21 working days | Get Quote |
5 mg | 73 USD | 90 | 21 working days | Get Quote |
10 mg | 85 USD | 90 | 21 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-9300866697
- Component type: Main
Name | File |
---|---|
SDF | MCULE-3380175042.sdf |
SMILES | MCULE-3380175042.smiles |
Standard InChI | MCULE-3380175042.inchi |
InChIKey | MCULE-3380175042.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-893175153 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-851855608 | AmBeed | On request | N/A | As is | by synthesis |
P-864219654 | AstaTech | Backordered BBs | 97 | As is | by synthesis |
P-591142354 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-31258211 | LaboTest | Screening Collection | 90 | As is | unavailable |
P-868740427 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-22530272 | TimTec | ActiMol 1 Week - Stock | 90 | As is | unavailable |
P-611582221 | Toronto Research | In stock | 90 | As is | in stock |
P-579487427 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As a main component | 30 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 184.279 |
logP | 1.3257 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 4 |
PSA | 32.34 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 57.8827 |
Atoms | 33 |
Rings | 1 |
Heavy atoms | 13 |
Hydrogen atoms | 20 |
Heteroatoms | 3 |
N/O atoms | 3 |
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 |