Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4755949465
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 | 47 USD | 95 | 14 working days | Get Quote |
| 5 mg | 47 USD | 95 | 14 working days | Get Quote |
| 10 mg | 47 USD | 95 | 14 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-9502311937
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4755949465.sdf |
| SMILES | MCULE-4755949465.smiles |
| Standard InChI | MCULE-4755949465.inchi |
| InChIKey | MCULE-4755949465.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867587302 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875745732 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-597017749 | AEchem | Building blocks | 95 | As is | in stock |
| P-869220840 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-875896653 | Allbio Pharm | In stock | N/A | As is | in stock |
| P-851511875 | AmBeed | On request | N/A | As is | by synthesis |
| P-494320877 | Apollo Scientific | In Stock | 95 | As is | 5.35 g |
| P-864155449 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-868643039 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-580270738 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-619804345 | J&W Pharmlab | In-stock compounds | 97 | As is | in stock |
| P-563458280 | Key Organics | Building Blocks | 95 | As is | 5 g |
| P-855993957 | Key Organics | Screening Compounds and Fragments | 95 | As is | 100 mg |
| P-579679095 | LabSeeker, Inc | On demand Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-31197547 | LaboTest | Screening Collection | 90 | As is | 200 mg |
| P-580504101 | Manchester Organics | Compounds on demand | 95 | As is | by synthesis |
| P-854913865 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-500392753 | Pi Chemicals | Virtual Compounds | 95 | As is | by synthesis |
| P-502395757 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611582451 | Toronto Research | In stock | 90 | As is | in stock |
| P-667013088 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| P-867620651 | A2B Chem | Predominantly Building Block in stock | 95 | As a main component | in stock |
| P-875782982 | AA Blocks | AA Blocks - in stock | N/A | As a main component | in stock |
| P-869250339 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
| P-851890436 | AmBeed | On request | N/A | As a main component | by synthesis |
| P-489161216 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As a main component | in stock |
| P-494473665 | Apollo Scientific | On request | 95 | As a main component | by resynthesis (? - ? days) |
| P-864224268 | AstaTech | Backordered BBs | 95 | As a main component | by synthesis |
| P-591061253 | BLD pharm | Non-stock building blocks | 97 | As a main component | by synthesis |
| P-861372257 | Combi-Blocks | Building Block on demand | 95 | As a main component | by synthesis |
| P-861925755 | FluoroChem | General BB | 95 | As a main component | in stock |
| P-619804346 | J&W Pharmlab | In-stock compounds | 97 | As a main component | in stock |
| P-588709960 | Key Organics | Building Blocks | 95 | As a main component | unavailable |
| P-856010945 | LaboTest | Screening Collection | 90 | As a main component | unavailable |
| P-854840167 | MedChemExpress | Building Blocks on demand | 95 | As a main component | by synthesis |
| P-611457592 | Toronto Research | In stock | 90 | As a main component | in stock |
| P-854668626 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 185.144 |
| logP | 1.5295 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 52.32 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 35.1394 |
| Atoms | 22 |
| Rings | 0 |
| Heavy atoms | 12 |
| Hydrogen atoms | 10 |
| Heteroatoms | 6 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| 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 |
