MCULE-8434446195-1
- 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 | 35 USD | 90 | 19 working days | Get Quote |
5 mg | 52 USD | 90 | 19 working days | Get Quote |
10 mg | 65 USD | 90 | 19 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-6628880106-0
- Component type: Main
Name | File |
---|---|
SDF | MCULE-8434446195-1.sdf |
SMILES | MCULE-8434446195-1.smiles |
Standard InChI | MCULE-8434446195-1.inchi |
InChIKey | MCULE-8434446195-1.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-892859727 | A2B Chem | Predominantly Building Block in stock | 95 | As a main component | in stock |
P-889917547 | AA Blocks | AA Blocks - synthesis | N/A | As a main component | by synthesis |
P-894643763 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
P-851445008 | AmBeed | On request | N/A | As a main component | by synthesis |
P-889799427 | AstaTech | Backordered BBs | 95 | As a main component | by synthesis |
P-611015247 | BLD pharm | Non-stock building blocks | 95 | As a main component | by synthesis |
P-619307317 | ChemDiv | Discovery Chemistry Library | 90 | As a main component | 26 mg |
P-34525072 | Crea-Chim | HTS compounds | 90 | As a main component | unavailable |
P-34572362 | Crea-Chim | HTS compounds | 90 | As a main component | unavailable |
P-580768106 | Crea-Chim | Prepacked BB compounds with prompt delivery | 90 | As a main component | in stock |
P-580778902 | Crea-Chim | Building Blocks | 90 | As a main component | by resynthesis (? - ? days) |
P-675092478 | Princeton Biomolecular Research | Screening Compounds | 90 | As a main component | in stock |
P-33489595 | TimTec | ActiMol 3 Week | 90 | As a main component | in stock |
P-502344478 | TimTec | Building Block Collection | 90 | As a main component | in stock |
P-873035347 | TimTec | ActiMol 1 Week - Stock | 90 | As a main component | 5 mg |
P-855347569 | Toronto Research | In stock | 90 | As a main component | in stock |
P-617762791 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As a main component | 13 mg |
P-893745912 | eNovation Chemicals LLC | Building Block on demand | 95 | As a main component | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 306.219 |
logP | 1.7786 |
H-bond acceptors | 5 |
H-bond donors | 0 |
Rotatable bonds | 3 |
PSA | 70.32 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 68.442 |
Atoms | 29 |
Rings | 3 |
Heavy atoms | 22 |
Hydrogen atoms | 7 |
Heteroatoms | 8 |
N/O atoms | 5 |
Inorganic atoms | 0 |
Halogen atoms | 3 |
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 |