Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2699097835-0
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 | 10 USD | 98 | 20 working days | Get Quote |
| 5 mg | 10 USD | 98 | 20 working days | Get Quote |
| 10 mg | 10 USD | 98 | 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.
-
MCULE-9543104515-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-2699097835-0.sdf |
| SMILES | MCULE-2699097835-0.smiles |
| Standard InChI | MCULE-2699097835-0.inchi |
| InChIKey | MCULE-2699097835-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-597024324 | 95 | As is | unavailable |
| P-1275196143 | 98 | As is | in stock |
| P-893493909 | 90 | As is | 145.477 g |
| P-901168583 | 98 | As is | in stock |
| P-1270343264 | 95 | As is | in stock |
| P-856052563 | 95 | As is | by synthesis |
| P-606948649 | N/A | As is | in stock |
| P-596941598 | 98 | As is | 15 g |
| P-596448816 | 90 | As is | 1000 mg |
| P-596496742 | 90 | As is | 1000 mg |
| P-864095849 | 95 | As is | in stock |
| P-580696714 | 95 | As is | 6 g |
| P-454728302 | 90 | As is | in stock |
| P-1272253583 | 90 | As is | 28 mg |
| P-436472078 | 95 | As is | in stock |
| P-34859097 | 90 | As is | in stock |
| P-851275922 | 95 | As is | by synthesis |
| P-861281211 | 97 | As is | in stock |
| P-868580462 | 97 | As is | in stock |
| P-580089742 | 95 | As is | 1.45 g |
| P-579804842 | 90 | As is | in stock |
| P-905435465 | 98 | As is | 23.477 g |
| P-1273122928 | 98 | As is | 11 g |
| P-861974151 | 98 | As is | 23.477 g |
| P-590338620 | 90 | As is | 1000 mg |
| P-890216185 | 90 | As is | in stock |
| P-502467857 | 95 | As is | by synthesis |
| P-870580347 | 95 | As is | in stock |
| P-870569118 | 90 | As is | in stock |
| P-454404024 | 95 | As is | 500 mg |
| P-608085160 | 95 | As is | in stock |
| P-31255975 | 90 | As is | 250 mg |
| P-1272567075 | N/A | As is | 25 g |
| P-852388111 | N/A | As is | by synthesis |
| P-854734345 | 95 | As is | in stock |
| P-620234678 | 95 | As is | 1.5 g |
| P-674921420 | 90 | As is | 1.5 g |
| P-856072897 | 95 | As is | in stock |
| P-19647841 | 90 | As is | in stock |
| P-596737540 | 95 | As is | 41.5 g |
| P-502348786 | 90 | As is | in stock |
| P-888439768 | 94 | As is | by resynthesis (? - ? days) |
| P-886742681 | 95 | As a main component | in stock |
| P-899947562 | N/A | As a main component | by synthesis |
| P-889808080 | 95 | As a main component | by synthesis |
| P-901901799 | 95 | As a main component | by synthesis |
| P-861390669 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 161.161 |
| logP | 1.0865 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 0 |
| PSA | 71.77 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 46.7681 |
| Atoms | 19 |
| Rings | 2 |
| Heavy atoms | 12 |
| Hydrogen atoms | 7 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| 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 |
