Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4066513770
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 | 101 USD | 98 | 8 working days | Get Quote |
| 5 mg | 101 USD | 98 | 8 working days | Get Quote |
| 10 mg | 101 USD | 98 | 8 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-8595160457
- Component type: Main
-
MCULE-6292061239
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4066513770.sdf |
| SMILES | MCULE-4066513770.smiles |
| Standard InChI | MCULE-4066513770.inchi |
| InChIKey | MCULE-4066513770.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-851496235 | AmBeed | On request | N/A | As is | by synthesis |
| P-590823547 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
| P-596577433 | Key Organics | Building Blocks | 95 | As is | in stock |
| P-491318574 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-615419651 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| P-875792379 | AA Blocks | AA Blocks - in stock | N/A | As a main component | in stock |
| P-869238218 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
| P-865919451 | Angene | Building Blocks in stock | 95 | As a main component | 200 mg |
| P-872725879 | Apexbio Technology | Bioactive Compound Library | 98 | As a main component | in stock |
| P-869420200 | AstaTech | Backordered BBs | 95 | As a main component | by synthesis |
| P-868543801 | Axon Medchem | Axon predominantly SC catalog | 98 | As a main component | in stock |
| P-580450845 | CliniSciences S.A.S | All products | 99 | As a main component | in stock |
| P-887328733 | Combi-Blocks | Building Block on demand | 95 | As a main component | by synthesis |
| P-868660266 | DC Chemicals Limited | Stock Products | 95 | As a main component | in stock |
| P-870660536 | Glentham Life Sciences | Compounds typically in stock | N/A | As a main component | in stock |
| P-868078906 | Hangzhou Apichem | Building Blocks in stock | 95 | As a main component | in stock |
| P-855919958 | Key Organics | Building Blocks | 95 | As a main component | in stock |
| P-584619924 | MedKoo | In stock compounds | 95 | As a main component | in stock |
| P-888634339 | TargetMol | Screening Compounds | 95 | As a main component | by synthesis |
| P-869119415 | TargetMol | Screening Compounds - stock amount | 95 | As a main component | in stock |
| P-868525601 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 170.238 |
| logP | 1.3789 |
| H-bond acceptors | 4 |
| H-bond donors | 3 |
| Rotatable bonds | 4 |
| PSA | 103.85 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 47.0568 |
| Atoms | 21 |
| Rings | 1 |
| Heavy atoms | 11 |
| Hydrogen atoms | 10 |
| Heteroatoms | 5 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 1 |
