Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4695510996-0
Structure
Show compound
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 | 7 USD | 98 | 8 working days | Get Quote |
| 5 mg | 7 USD | 98 | 8 working days | Get Quote |
| 10 mg | 7 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-3491224580-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4695510996-0.sdf |
| SMILES | MCULE-4695510996-0.smiles |
| Standard InChI | MCULE-4695510996-0.inchi |
| InChIKey | MCULE-4695510996-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867579915 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875739133 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-590398631 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-893503653 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 2.34769 kg |
| P-856054764 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
| P-606888892 | AmBeed | In stock | N/A | As is | in stock |
| P-866721663 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-864101636 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-481167382 | Atlantic Research Chemicals Ltd | In-stock Building Blocks | 95 | As is | 20 g |
| P-580733875 | BLD pharm | In-stock building blocks | 98 | As is | 196.25 g |
| P-851247812 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-861277593 | Chiralstar | Chiralstar Building Blocks | 95 | As is | in stock |
| P-868643966 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-580401790 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-590336001 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | 1000 mg |
| P-890213584 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As is | in stock |
| P-505544027 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-492220893 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-502458148 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-454399399 | Key Organics | Building Blocks | 95 | As is | 5 g |
| P-454313151 | Key Organics | Screening Compounds and Fragments | 95 | As is | 100 mg |
| P-580513979 | Manchester Organics | Stock compounds | 95 | As is | 20 g |
| P-854727933 | MedChemExpress | In stock Building Blocks | 95 | As is | in stock |
| P-26394416 | Otava | In-House Stock Library | 90 | As is | 172 mg |
| P-492276161 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 172 mg |
| P-888870585 | PharmaBlock | In stock | N/A | As is | in stock |
| P-424837960 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-613805991 | Spirochem | All | 95 | As is | in stock |
| P-596783260 | Synthonix | In-stock Building Blocks | 96 | As is | 1.62262 kg |
| P-611428920 | Toronto Research | In stock | 90 | As is | in stock |
| P-35121608 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 155 mg |
| P-893899522 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| P-892972841 | A2B Chem | Predominantly Building Block on demand | N/A | As a main component | by synthesis |
| P-492324632 | Advamacs (TriMen Chemicals) | Predominantly Building Blocks in stock | 95 | As a main component | in stock |
| P-851571717 | AmBeed | On request | N/A | As a main component | by synthesis |
| P-861932532 | FluoroChem | General BB | N/A | As a main component | in stock |
| P-864021438 | MedChemExpress | Building Blocks on demand | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 110.114 |
| logP | 0.5306 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 45.75 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 28.9412 |
| Atoms | 14 |
| Rings | 1 |
| Heavy atoms | 8 |
| Hydrogen atoms | 6 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |
