Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1405728472
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 | 10 USD | 95 | 20 working days | Get Quote |
| 5 mg | 10 USD | 95 | 20 working days | Get Quote |
| 10 mg | 10 USD | 95 | 20 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.
-
1
MCULE-4612136582
- Component type: Main
-
1
MCULE-6475627950
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1405728472.sdf |
| SMILES | MCULE-1405728472.smiles |
| Standard InChI | MCULE-1405728472.inchi |
| InChIKey | MCULE-1405728472.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-875705051 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-597026111 | AEchem | Building blocks | 95 | As is | in stock |
| P-869183816 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-580243344 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
| P-606935032 | AmBeed | In stock | N/A | As is | in stock |
| P-489233989 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596940448 | Angene | Building Blocks in stock | 95 | As is | 700 g |
| P-494478985 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-864107786 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-893221252 | Biosynth | In Stock | 95 | As is | in stock |
| P-851270626 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-900265743 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
| P-889117041 | FluoroChem | In Stock BB | 95 | As is | 29.3 g |
| P-889434091 | FluoroChem | General BB | 98 | As is | in stock |
| P-505538362 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-454424871 | Key Organics | Building Blocks | 95 | As is | 10.019 g |
| P-596546972 | Key Organics | Screening Compounds and Fragments | 95 | As is | 10.019 g |
| P-579621462 | LabSeeker, Inc | Stock Collection | 98 | As is | in stock |
| P-860795548 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-852496054 | Matrix Scientific | All | N/A | As is | in stock |
| P-854733125 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
| P-500411337 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-580090763 | Synthonix | In-stock Building Blocks | 95 | As is | 1.26 kg |
| P-611467604 | Toronto Research | In stock | 90 | As is | in stock |
| P-667019018 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 443.269 |
| logP | 3.9997 |
| H-bond acceptors | 8 |
| H-bond donors | 0 |
| Rotatable bonds | 5 |
| PSA | 89.73 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 93.092 |
| Atoms | 48 |
| Rings | 2 |
| Heavy atoms | 27 |
| Hydrogen atoms | 21 |
| Heteroatoms | 16 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 6 |
| 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 |
