Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4593074116
Compound
Show structure
In order to add this molecule to a collection you have to create an account.
Sign up for free
- 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 | 27 USD | 98 | 20 working days | Get Quote |
| 5 mg | 27 USD | 98 | 20 working days | Get Quote |
| 10 mg | 27 USD | 98 | 20 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 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-4593074116.sdf |
| SMILES | MCULE-4593074116.smiles |
| Standard InChI | MCULE-4593074116.inchi |
| InChIKey | MCULE-4593074116.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867638249 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875803448 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869259874 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-851873743 | AmBeed | On request | N/A | As is | by synthesis |
| P-489208438 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-875890728 | Angene | Building Blocks in stock | 98 | As is | 40 g |
| P-889791617 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-591145504 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
| P-504642461 | ChemBridge | RUSH - EXPRESS PICK LIBRARY | 90 | As is | 20 mg |
| P-4569939 | ChemDiv | Discovery Chemistry Library | 90 | As is | 7 mg |
| P-889030105 | Combi-Blocks | Building Block in stock | 97 | As is | in stock |
| P-569433734 | Eximed | Building Block Catalog | 95 | As is | 1.12 g |
| P-569192081 | Eximed | In-stock screening compounds | 90 | As is | 1.12 g |
| P-862094008 | FluoroChem | General BB | N/A | As is | in stock |
| P-890217356 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As is | in stock |
| P-590339785 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | in stock |
| P-580005242 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-502808796 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-503006890 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| P-31216478 | LaboTest | Screening Collection | 90 | As is | 2 g |
| P-874450602 | MedChemExpress | In stock Building Blocks | 95 | As is | in stock |
| P-888876106 | PharmaBlock | In stock | N/A | As is | in stock |
| P-18856528 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-856064765 | Princeton Biomolecular Research | Building Block Stock | 95 | As is | 1.12 g |
| P-502338227 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-596711439 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 34 mg |
| P-611602611 | Toronto Research | In stock | 90 | As is | in stock |
| P-872758761 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 215.229 |
| logP | 1.5212 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 91.85 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 48.9165 |
| Atoms | 23 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 9 |
| Heteroatoms | 6 |
| 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 |
