MCULE-8924760145
- 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 | 207 USD | 95 | 22 working days | Get Quote |
5 mg | 207 USD | 95 | 22 working days | Get Quote |
10 mg | 207 USD | 95 | 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-4114533035
- Component type: Main
Name | File |
---|---|
SDF | MCULE-8924760145.sdf |
SMILES | MCULE-8924760145.smiles |
Standard InChI | MCULE-8924760145.inchi |
InChIKey | MCULE-8924760145.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886598359 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-890154325 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-610907735 | Advanced ChemBlocks Inc (AChemBlock) | On demand | 90 | As is | by synthesis |
P-851813034 | AmBeed | On request | N/A | As is | by synthesis |
P-864287882 | AstaTech | Backordered BBs | 98 | As is | by synthesis |
P-590994831 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
P-591105275 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
P-492247413 | ChemBridge | Building Block Library | 95 | As is | in stock |
P-855951382 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
P-855951455 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
P-852406225 | Matrix Scientific | All | N/A | As is | in stock |
P-854771820 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-873219586 | TimTec | Building Block Collection | 90 | As is | in stock |
P-893794339 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
P-893761532 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
P-896050465 | AstaTech | Backordered BBs | 95 | As a main component | by synthesis |
P-893796506 | eNovation Chemicals LLC | Building Block on demand | 95 | As a main component | by synthesis |
P-893759899 | eNovation Chemicals LLC | Building Block on demand | 95 | As a main component | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 127.184 |
logP | 1.2129 |
H-bond acceptors | 2 |
H-bond donors | 1 |
Rotatable bonds | 1 |
PSA | 35.25 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 35.3274 |
Atoms | 22 |
Rings | 2 |
Heavy atoms | 9 |
Hydrogen atoms | 13 |
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 |