MCULE-4297762533
- 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 | 33 USD | 90 | 19 working days | Get Quote |
5 mg | 35 USD | 95 | 14 working days | Get Quote |
10 mg | 41 USD | 95 | 14 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.
Name | File |
---|---|
SDF | MCULE-4297762533.sdf |
SMILES | MCULE-4297762533.smiles |
Standard InChI | MCULE-4297762533.inchi |
InChIKey | MCULE-4297762533.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886611957 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-875797072 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-869286211 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-580218229 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
P-19930997 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
P-436448348 | Alinda | Building Blocks | 95 | As is | 10 g |
P-851886710 | AmBeed | On request | N/A | As is | by synthesis |
P-889811349 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-454636317 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-861536976 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-580755547 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
P-579490347 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | 8.91 g |
P-890206407 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As is | in stock |
P-524171951 | Key Organics | Building Blocks | 95 | As is | 192 mg |
P-588717252 | Key Organics | Screening Compounds and Fragments | 95 | As is | 192 mg |
P-888159998 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
P-588252369 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
P-852398499 | Matrix Scientific | All | N/A | As is | in stock |
P-854918074 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-424838010 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-885523214 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-502358425 | TimTec | Building Block Collection | 90 | As is | in stock |
P-23193562 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
P-611484840 | Toronto Research | In stock | 90 | As is | in stock |
P-3224892 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 3.257 g |
P-1082574 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 3.257 g |
P-893831148 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 259.684 |
logP | 1.9627 |
H-bond acceptors | 5 |
H-bond donors | 1 |
Rotatable bonds | 6 |
PSA | 56.79 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 65.0267 |
Atoms | 31 |
Rings | 1 |
Heavy atoms | 17 |
Hydrogen atoms | 14 |
Heteroatoms | 6 |
N/O atoms | 5 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |