MCULE-4021945913
- 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 | 51 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.
Name | File |
---|---|
SDF | MCULE-4021945913.sdf |
SMILES | MCULE-4021945913.smiles |
Standard InChI | MCULE-4021945913.inchi |
InChIKey | MCULE-4021945913.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867671460 | A2B Chem | Predominantly Building Block in stock | N/A | As is | in stock |
P-875845598 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-590363348 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-893423902 | Advanced ChemBlocks Inc (AChemBlock) | On demand | 90 | As is | by synthesis |
P-851841169 | AmBeed | On request | N/A | As is | by synthesis |
P-596464489 | Asinex | General screening catalog | 90 | As is | 1000 mg |
P-591085739 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-504735112 | ChemBridge | RUSH - EXPRESS PICK LIBRARY | 85 | As is | 5 mg |
P-454757277 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-607763008 | ChemDiv | Discovery Chemistry Library | 90 | As is | 7 mg |
P-34526463 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
P-580766295 | Crea-Chim | Prepacked BB compounds with prompt delivery | 90 | As is | in stock |
P-580776956 | Crea-Chim | Building Blocks | 90 | As is | by resynthesis (? - ? days) |
P-900327667 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-580498700 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
P-852388146 | Matrix Scientific | All | N/A | As is | in stock |
P-854860150 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-23869799 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-491129190 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-33464858 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-502340216 | TimTec | Building Block Collection | 90 | As is | in stock |
P-888371822 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
P-611567725 | Toronto Research | In stock | 90 | As is | in stock |
P-1177189 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.052 g |
P-596527339 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.052 g |
P-886905746 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 154.170 |
logP | 0.8656 |
H-bond acceptors | 5 |
H-bond donors | 2 |
Rotatable bonds | 2 |
PSA | 86.93 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 40.7953 |
Atoms | 21 |
Rings | 1 |
Heavy atoms | 11 |
Hydrogen atoms | 10 |
Heteroatoms | 5 |
N/O atoms | 5 |
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 |