Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7884944577-0
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 | 3 USD | 98 | 14 working days | Get Quote |
| 5 mg | 3 USD | 98 | 14 working days | Get Quote |
| 10 mg | 3 USD | 98 | 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.
-
1
MCULE-9792551388-1
- Component type: Main
-
1
MCULE-6872461833-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-7884944577-0.sdf |
| SMILES | MCULE-7884944577-0.smiles |
| Standard InChI | MCULE-7884944577-0.inchi |
| InChIKey | MCULE-7884944577-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867529411 | N/A | As is | by synthesis |
| P-893171173 | N/A | Main component as a main component | by synthesis |
| P-1264918066 | 50 | Main component as a main component | by synthesis |
| P-875785507 | 98 | Main component as a main component | in stock |
| P-535622536 | 98 | Main component as a main component | in stock |
| P-881670381 | 95 | Main component as a main component | in stock |
| P-903133715 | 98 | Main component as a main component | 84.5 kg |
| P-606878328 | N/A | Main component as a main component | in stock |
| P-489238321 | 97 | Main component as a main component | in stock |
| P-596964791 | 98 | Main component as a main component | 84 kg |
| P-584628272 | 98 | Main component as a main component | 2.1 kg |
| P-868613744 | 98 | Main component as a main component | in stock |
| P-905324810 | 98 | Main component as a main component | 1000 g |
| P-596562879 | 97 | Main component as a main component | 500 g |
| P-856081870 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-906769873 | 98 | Main component as a main component | by synthesis |
| P-855240867 | 90 | Main component as a main component | in stock |
| P-666976386 | 95 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 82.011 |
| logP | -2.2714 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 60.36 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 12.7193 |
| Atoms | 9 |
| Rings | 0 |
| Heavy atoms | 6 |
| Hydrogen atoms | 3 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 1 |
| 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 |
