Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4782046368
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 | 15 working days | Get Quote |
| 5 mg | 27 USD | 98 | 15 working days | Get Quote |
| 10 mg | 27 USD | 98 | 15 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-5929319244
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4782046368.sdf |
| SMILES | MCULE-4782046368.smiles |
| Standard InChI | MCULE-4782046368.inchi |
| InChIKey | MCULE-4782046368.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867535761 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875691126 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-615724385 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-606898803 | AmBeed | In stock | N/A | As is | in stock |
| P-865902310 | Angene | Building Blocks in stock | 98 | As is | 14 g |
| P-494330840 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-613257569 | BLD pharm | In-stock building blocks | 98 | As is | 14 g |
| P-577179346 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
| P-868623143 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-889358333 | FluoroChem | General BB | N/A | As is | in stock |
| P-488550136 | InterBioScreen | Building Blocks | 90 | As is | in stock |
| P-13731310 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
| P-588713892 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
| P-588713893 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
| P-454384201 | Key Organics | Building Blocks | 95 | As is | 33.992 g |
| P-18803594 | Key Organics | Screening Compounds and Fragments | 95 | As is | 33.992 g |
| P-579675640 | LabSeeker, Inc | On demand Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-588250063 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-852414218 | Matrix Scientific | All | N/A | As is | in stock |
| P-854803368 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-888878778 | PharmaBlock | In stock | N/A | As is | in stock |
| P-454368525 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
| P-13935365 | Pharmeks LLC | Synthetic compounds | 92 | As is | in stock |
| P-23837137 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-885518210 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-502404676 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611368325 | Toronto Research | In stock | 90 | As is | in stock |
| P-3224595 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 19.027 g |
| P-436257 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 19.027 g |
| P-3242614 | VITAS M CHEMICAL LIMITED | Collections of Fragments for Fragment-based Drug Discovery | 90 | As is | 19.027 g |
| P-886949029 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| P-864177769 | AstaTech | In Stock BBs | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 234.076 |
| logP | 3.1682 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 63.32 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 55.5212 |
| Atoms | 23 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 9 |
| Heteroatoms | 5 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
