Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4995976057
Compound
Show structures
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 | 33 USD | 90 | 19 working days | Get Quote |
| 5 mg | 35 USD | 90 | 17 working days | Get Quote |
| 10 mg | 41 USD | 90 | 17 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.
-
MCULE-8888022304
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4995976057.sdf |
| SMILES | MCULE-4995976057.smiles |
| Standard InChI | MCULE-4995976057.inchi |
| InChIKey | MCULE-4995976057.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-875798467 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-505354574 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-675062595 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-851682166 | AmBeed | On request | N/A | As is | by synthesis |
| P-596487313 | Asinex | General bb catalog | 90 | As is | 165 mg |
| P-596294715 | Asinex | General screening catalog | 90 | As is | 165 mg |
| P-590958936 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
| P-4508629 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 1 mg |
| P-674212163 | ChemDiv | Discovery Chemistry Library | 90 | As is | 28 mg |
| P-861445309 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-34780189 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
| P-524164056 | Key Organics | Building Blocks | 98 | As is | 498 mg |
| P-596545953 | Key Organics | Screening Compounds and Fragments | 98 | As is | 498 mg |
| P-895190416 | MedChemExpress | Screening compounds on demand | 95 | As is | by synthesis |
| P-584618563 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-675079779 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-856970116 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-22530823 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 300 mg |
| P-611459709 | Toronto Research | In stock | 90 | As is | in stock |
| P-502706 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 217 mg |
| P-893676294 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| P-893156609 | A2B Chem | Predominantly Building Block on demand | N/A | As a main component | by synthesis |
| P-851651626 | AmBeed | On request | N/A | As a main component | by synthesis |
| P-591001185 | BLD pharm | Non-stock building blocks | 95 | As a main component | by synthesis |
| P-895526988 | MedChemExpress | Building Blocks on demand | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 253.299 |
| logP | 4.1135 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 74.16 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 79.3568 |
| Atoms | 34 |
| Rings | 3 |
| Heavy atoms | 19 |
| Hydrogen atoms | 15 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |
