Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3975481356
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 | 40 USD | 90 | 22 working days | Get Quote |
| 5 mg | 58 USD | 90 | 22 working days | Get Quote |
| 10 mg | 74 USD | 90 | 22 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-4707608964
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3975481356.sdf |
| SMILES | MCULE-3975481356.smiles |
| Standard InChI | MCULE-3975481356.inchi |
| InChIKey | MCULE-3975481356.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867325871 | 95 | As is | by synthesis |
| P-894627688 | 95 | As is | in stock |
| P-851722123 | N/A | As is | by synthesis |
| P-611127904 | 95 | As is | by synthesis |
| P-854870044 | 95 | As is | by synthesis |
| P-611399045 | 90 | As is | in stock |
| P-886576795 | 97 | Main component | in stock |
| P-890148972 | N/A | Main component | in stock |
| P-613849028 | 95 | Main component | in stock |
| P-903098534 | 97 | Main component | 5 g |
| P-893603396 | 90 | Main component | 50.95 g |
| P-872942418 | N/A | Main component | in stock |
| P-875889652 | 97 | Main component | 20 g |
| P-596518467 | 90 | Main component | 1000 mg |
| P-596469895 | 90 | Main component | 1000 mg |
| P-889781085 | 95 | Main component | in stock |
| P-872931355 | 97 | Main component | 1.969 g |
| P-901430554 | 95 | Main component | by synthesis |
| P-454684848 | 90 | Main component | in stock |
| P-15147637 | 90 | Main component | 24 mg |
| P-436443266 | 90 | Main component | 61.6 g |
| P-314006 | 90 | Main component | 827 mg |
| P-887319046 | 95 | Main component | by synthesis |
| P-34721685 | 90 | Main component | by synthesis |
| P-580787838 | 90 | Main component | by resynthesis (? - ? days) |
| P-861974691 | N/A | Main component | 3 g |
| P-579523148 | 90 | Main component | 1 mg |
| P-890211958 | 90 | Main component | 1 mg |
| P-502459038 | 95 | Main component | by synthesis |
| P-454287499 | 90 | Main component | unavailable |
| P-613333476 | 95 | Main component | by synthesis |
| P-852395513 | N/A | Main component | in stock |
| P-895390654 | 95 | Main component | by synthesis |
| P-491225737 | 95 | Main component | by synthesis |
| P-24061252 | 90 | Main component | in stock |
| P-33449796 | 90 | Main component | in stock |
| P-502337366 | 90 | Main component | in stock |
| P-903662239 | 94 | Main component | by resynthesis (? - ? days) |
| P-906814671 | 97 | Main component | by synthesis |
| P-611592246 | 90 | Main component | in stock |
| P-2140624 | 90 | Main component | 125 mg |
| P-894013869 | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 234.704 |
| logP | 3.0231 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 80.57 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 59.4941 |
| Atoms | 25 |
| Rings | 2 |
| Heavy atoms | 14 |
| Hydrogen atoms | 11 |
| Heteroatoms | 6 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
