Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5063567852
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 | 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 |
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-4206445432
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5063567852.sdf |
| SMILES | MCULE-5063567852.smiles |
| Standard InChI | MCULE-5063567852.inchi |
| InChIKey | MCULE-5063567852.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-892861492 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-889921150 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
| P-613849751 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-436452551 | Alinda | Building Blocks | 95 | As is | in stock |
| P-851398762 | AmBeed | On request | N/A | As is | by synthesis |
| P-596491278 | Asinex | General bb catalog | 90 | As is | unavailable |
| P-590720278 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
| P-4556733 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 5 mg |
| P-577132949 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-868632345 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
| P-855971664 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
| P-852406582 | Matrix Scientific | All | N/A | As is | in stock |
| P-854922089 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-454227286 | Specs | Screening Compounds | 90 | As is | 63 mg |
| P-855303217 | Toronto Research | In stock | 90 | As is | in stock |
| P-892478501 | Asinex | General screening catalog | 90 | As a main component | unavailable |
| P-674220016 | ChemDiv | Discovery Chemistry Library | 90 | As a main component | 3 mg |
| P-34558853 | Crea-Chim | HTS compounds | 90 | As a main component | unavailable |
| P-617743220 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As a main component | 107 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 258.401 |
| logP | 3.512 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 15.27 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 84.8627 |
| Atoms | 45 |
| Rings | 3 |
| Heavy atoms | 19 |
| Hydrogen atoms | 26 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 |
