Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9171511902-0
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 | 18 USD | 97 | 20 working days | Get Quote |
| 5 mg | 18 USD | 97 | 20 working days | Get Quote |
| 10 mg | 18 USD | 97 | 20 working days | Get Quote |
- 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-5775192694-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9171511902-0.sdf |
| SMILES | MCULE-9171511902-0.smiles |
| Standard InChI | MCULE-9171511902-0.inchi |
| InChIKey | MCULE-9171511902-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867632718 | 97 | As is | in stock |
| P-875797386 | 97 | As is | in stock |
| P-869256665 | 97 | As is | by resynthesis (? - ? days) |
| P-903152750 | 97 | As is | 100 g |
| P-610952742 | 90 | As is | 117.8 g |
| P-1270390992 | 97 | As is | in stock |
| P-606864308 | N/A | As is | in stock |
| P-489161312 | 97 | As is | in stock |
| P-596979944 | 97 | As is | 100 g |
| P-864118466 | 95 | As is | in stock |
| P-893279559 | 97 | As is | 5.77 g |
| P-492266128 | 95 | As is | in stock |
| P-851297899 | 95 | As is | by synthesis |
| P-868597554 | 95 | As is | in stock |
| P-862025224 | 97 | As is | 10.89 g |
| P-905344754 | 97 | As is | 2 g |
| P-563409150 | 95 | As is | 1000 mg |
| P-580492466 | N/A | As is | by synthesis |
| P-852437446 | 95 | As is | by synthesis |
| P-868742346 | 95 | As is | in stock |
| P-888858855 | N/A | As is | in stock |
| P-613806151 | 95 | As is | in stock |
| P-498697172 | 97 | As is | 16.7 g |
| P-33276201 | 90 | As is | in stock |
| P-611417764 | 90 | As is | in stock |
| P-480947256 | 97 | As is | in stock |
| P-886521643 | 95 | Main component | in stock |
| P-901254877 | 95 | Main component | in stock |
| P-595216774 | 95 | Main component | by resynthesis (? - ? days) |
| P-903021617 | 95 | Main component | 500 mg |
| P-851776114 | N/A | Main component | by synthesis |
| P-864221193 | 95 | Main component | by synthesis |
| P-492259740 | 95 | Main component | in stock |
| P-887099783 | 95 | Main component | in stock |
| P-580367184 | N/A | Main component | by resynthesis (? - ? days) |
| P-563597391 | 95 | Main component | 250 mg |
| P-852492451 | 95 | Main component | by synthesis |
| P-895271518 | 95 | Main component | by synthesis |
| P-611553097 | 90 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 151.633 |
| logP | 0.8112 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 23.47 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 43.7798 |
| Atoms | 23 |
| Rings | 1 |
| Heavy atoms | 9 |
| Hydrogen atoms | 14 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| 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 |
