Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6744199997-0
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 | 19 USD | 97 | 14 working days | Get Quote |
| 5 mg | 19 USD | 97 | 14 working days | Get Quote |
| 10 mg | 19 USD | 97 | 14 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-2259185991-0
- Component type: Main
-
1
MCULE-6124492894-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-6744199997-0.sdf |
| SMILES | MCULE-6744199997-0.smiles |
| Standard InChI | MCULE-6744199997-0.inchi |
| InChIKey | MCULE-6744199997-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886689448 | 95 | As is | in stock |
| P-889991013 | 95 | As is | by synthesis |
| P-869212517 | 95 | As is | by resynthesis (? - ? days) |
| P-903256986 | 95 | As is | 2.5 g |
| P-851468289 | N/A | As is | by synthesis |
| P-611031028 | 95 | As is | by synthesis |
| P-901495420 | 95 | As is | by synthesis |
| P-861397436 | 95 | As is | by synthesis |
| P-854876153 | 95 | As is | by synthesis |
| P-611379533 | 90 | As is | in stock |
| P-893746866 | 95 | As is | by synthesis |
| P-867554136 | 97 | Main component | in stock |
| P-867623115 | 98 | Main component | in stock |
| P-875712642 | 97 | Main component | in stock |
| P-1265817710 | 98 | Main component | in stock |
| P-590362973 | 97 | Main component | by resynthesis (? - ? days) |
| P-903039609 | 97 | Main component | 25 g |
| P-610980056 | 90 | Main component | 30 g |
| P-1270315105 | 97 | Main component | in stock |
| P-606952450 | N/A | Main component | in stock |
| P-867732910 | N/A | Main component | by synthesis |
| P-489112438 | 97 | Main component | in stock |
| P-596942639 | 97 | Main component | 5 g |
| P-1273371169 | 95 | Main component | by resynthesis (? - ? days) |
| P-864170590 | 97 | Main component | in stock |
| P-580711975 | 97 | Main component | 13.759 g |
| P-1274921384 | 95 | Main component | in stock |
| P-492241063 | 95 | Main component | in stock |
| P-580046498 | 90 | Main component | in stock |
| P-588714503 | 95 | Main component | 1000 mg |
| P-524169487 | 98 | Main component | 250 mg |
| P-524189603 | 95 | Main component | 500 mg |
| P-579665611 | 95 | Main component | by resynthesis (? - ? days) |
| P-613277305 | 95 | Main component | by synthesis |
| P-854802677 | 95 | Main component | by synthesis |
| P-889867394 | 95 | Main component | by synthesis |
| P-873222638 | 90 | Main component | in stock |
| P-1272896874 | 94 | Main component | by resynthesis (? - ? days) |
| P-611379532 | 90 | Main component | in stock |
| P-1271584212 | 95 | Main component | in stock |
| P-886773236 | 95 | Main component as a main component | in stock |
| P-890066071 | 95 | Main component as a main component | by synthesis |
| P-903401315 | 95 | Main component as a main component | 5 g |
| P-1263093765 | N/A | Main component as a main component | by synthesis |
| P-1263337061 | 95 | Main component as a main component | by synthesis |
| P-906793828 | 97 | Main component as a main component | by synthesis |
| P-893790135 | 95 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 274.154 |
| logP | 3.0796 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 5 |
| PSA | 63.32 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 65.1542 |
| Atoms | 31 |
| Rings | 1 |
| Heavy atoms | 15 |
| Hydrogen atoms | 16 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
