MCULE-9948103468-0
- 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 | 70 USD | 90 | 22 working days | Get Quote |
5 mg | 102 USD | 90 | 22 working days | Get Quote |
10 mg | 140 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.
-
MCULE-3607404647-0
- Component type: Main
-
MCULE-6629124122-0
- Component type: Main
Name | File |
---|---|
SDF | MCULE-9948103468-0.sdf |
SMILES | MCULE-9948103468-0.smiles |
Standard InChI | MCULE-9948103468-0.inchi |
InChIKey | MCULE-9948103468-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-885951652 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
P-889961338 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-894646321 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851409027 | AmBeed | On request | N/A | As is | by synthesis |
P-596495455 | Asinex | General bb catalog | 90 | As is | unavailable |
P-590758135 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-864025976 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-621309956 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
P-502331472 | TimTec | Building Block Collection | 90 | As is | in stock |
P-892496579 | Asinex | General screening catalog | 90 | As a main component | 1000 mg |
P-6982607 | ChemBridge | EXPRESS-Pick Collection | 90 | As a main component | 20 mg |
P-852384360 | Matrix Scientific | All | N/A | As a main component | in stock |
P-617602805 | Specs | Screening Compounds | 90 | As a main component | 295 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 235.322 |
logP | 2.7448 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 6 |
PSA | 30.49 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 68.5147 |
Atoms | 38 |
Rings | 2 |
Heavy atoms | 17 |
Hydrogen atoms | 21 |
Heteroatoms | 3 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |