Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6802061208-0
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 | 25 USD | 95 | 34 working days | Get Quote |
| 5 mg | 25 USD | 95 | 34 working days | Get Quote |
| 10 mg | 25 USD | 95 | 34 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-7004970623-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-6802061208-0.sdf |
| SMILES | MCULE-6802061208-0.smiles |
| Standard InChI | MCULE-6802061208-0.inchi |
| InChIKey | MCULE-6802061208-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-874610749 | 95 | As is | in stock |
| P-893509680 | 90 | As is | 12.926 g |
| P-489117626 | 97 | As is | in stock |
| P-851339655 | 95 | As is | by synthesis |
| P-887190606 | 95 | As is | by synthesis |
| P-870641110 | 95 | As is | 100 mg |
| P-855921963 | 95 | As is | 250 mg |
| P-855990182 | 95 | As is | 1000 mg |
| P-579635193 | 80 | As is | by resynthesis (? - ? days) |
| P-893964714 | 95 | As is | in stock |
| P-892954736 | N/A | Main component | by synthesis |
| P-875815490 | N/A | Main component | in stock |
| P-588247027 | 98 | Main component | in stock |
| P-610993735 | 90 | Main component | 77.04 g |
| P-580237971 | 95 | Main component | by synthesis |
| P-851626339 | N/A | Main component | by synthesis |
| P-864106820 | 95 | Main component | in stock |
| P-619594417 | 95 | Main component | by synthesis |
| P-901473664 | 95 | Main component | by synthesis |
| P-505575867 | 98 | Main component | in stock |
| P-878235886 | 95 | Main component | by synthesis |
| P-868599818 | 98 | Main component | in stock |
| P-580303984 | 95 | Main component | by resynthesis (? - ? days) |
| P-890216013 | 90 | Main component | in stock |
| P-590338447 | 90 | Main component | 5 g |
| P-505493875 | 95 | Main component | in stock |
| P-580046462 | 90 | Main component | in stock |
| P-492236008 | 95 | Main component | in stock |
| P-619806665 | 96 | Main component | in stock |
| P-454323013 | 95 | Main component | 958 mg |
| P-454403127 | 95 | Main component | 25 g |
| P-524196953 | 97 | Main component | 10 g |
| P-588714381 | 95 | Main component | 1000 mg |
| P-588714382 | 95 | Main component | 1000 mg |
| P-563583386 | 95 | Main component | 250 mg |
| P-579619132 | 95 | Main component | 5 g |
| P-580498885 | N/A | Main component | by synthesis |
| P-852442979 | N/A | Main component | in stock |
| P-895284219 | 95 | Main component | by synthesis |
| P-12689246 | 90 | Main component | 2 mg |
| P-579713522 | N/A | Main component | in stock |
| P-500375653 | 98 | Main component | by synthesis |
| P-856063929 | 95 | Main component | in stock |
| P-596793228 | 95 | Main component | 0 mg |
| P-33803131 | 90 | Main component | in stock |
| P-502372333 | 90 | Main component | in stock |
| P-906905665 | 98 | Main component | in stock |
| P-906875718 | 95 | Main component | by synthesis |
| P-906792367 | 98 | Main component | by synthesis |
| P-611396554 | 90 | Main component | in stock |
| P-893679732 | 95 | Main component | by synthesis |
| P-575304637 | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 205.680 |
| logP | 2.1225 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 49.33 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 56.6025 |
| Atoms | 29 |
| Rings | 2 |
| Heavy atoms | 13 |
| Hydrogen atoms | 16 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 3 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 3 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
