Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8796709282
Compound
Show structures
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 |
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.
| Name | File |
|---|---|
| SDF | MCULE-8796709282.sdf |
| SMILES | MCULE-8796709282.smiles |
| Standard InChI | MCULE-8796709282.inchi |
| InChIKey | MCULE-8796709282.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867557010 | 95 | As is | in stock |
| P-875716623 | N/A | As is | in stock |
| P-869187902 | 95 | As is | in stock |
| P-505393940 | 98 | As is | in stock |
| P-903044951 | 98 | As is | 10 g |
| P-893512391 | 90 | As is | 163.216 g |
| P-893301340 | N/A | As is | in stock |
| P-851944163 | N/A | As is | in stock |
| P-489130461 | 97 | As is | in stock |
| P-596991966 | 98 | As is | 30 g |
| P-579789759 | 95 | As is | 500 mg |
| P-864120416 | 95 | As is | in stock |
| P-619603974 | 98 | As is | 1000 mg |
| P-577175328 | 90 | As is | by synthesis |
| P-851306648 | 95 | As is | by synthesis |
| P-868611949 | 97 | As is | in stock |
| P-580287691 | N/A | As is | by resynthesis (? - ? days) |
| P-905328496 | 97 | As is | 9 g |
| P-861921926 | 97 | As is | 138.375 g |
| P-890204205 | 90 | As is | in stock |
| P-579483737 | 90 | As is | 522 mg |
| P-502502873 | 95 | As is | by synthesis |
| P-502934377 | 90 | As is | in stock |
| P-492228456 | 95 | As is | in stock |
| P-488552624 | 90 | As is | in stock |
| P-13800651 | 95 | As is | 300 mg |
| P-454361554 | 90 | As is | unavailable |
| P-615645721 | 95 | As is | in stock |
| P-894991673 | 85 | As is | in stock |
| P-31267673 | 90 | As is | unavailable |
| P-856042478 | 90 | As is | unavailable |
| P-580498787 | 97 | As is | by synthesis |
| P-852607723 | N/A | As is | in stock |
| P-854742127 | 95 | As is | in stock |
| P-870989443 | 90 | As is | 800 mg |
| P-454373014 | 92 | As is | in stock |
| P-13936757 | 92 | As is | 300 mg |
| P-859956121 | 95 | As is | by synthesis |
| P-424841115 | 90 | As is | in stock |
| P-896073724 | N/A | As is | 47.472 g |
| P-596769999 | 95 | As is | 12.5 g |
| P-502367587 | 90 | As is | in stock |
| P-906767282 | 98 | As is | by synthesis |
| P-611455870 | 90 | As is | in stock |
| P-464683081 | 90 | As is | 1.04 g |
| P-2631591 | 90 | As is | 1.04 g |
| P-893943048 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 169.181 |
| logP | 1.0582 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 81.0 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 44.0446 |
| Atoms | 23 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 11 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| 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 |
