Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5828586417
Compound
Show structure
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 | 5 USD | 98 | 14 working days | Get Quote |
| 5 mg | 5 USD | 98 | 14 working days | Get Quote |
| 10 mg | 5 USD | 98 | 14 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-5828586417.sdf |
| SMILES | MCULE-5828586417.smiles |
| Standard InChI | MCULE-5828586417.inchi |
| InChIKey | MCULE-5828586417.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875703949 | N/A | As is | in stock |
| P-903028614 | 98 | As is | 1000 g |
| P-905480976 | 97 | As is | 1000 g |
| P-893512844 | 90 | As is | 3.07946 kg |
| P-580233547 | 95 | As is | by synthesis |
| P-606891686 | N/A | As is | in stock |
| P-489152653 | 97 | As is | in stock |
| P-596926577 | 98 | As is | 1000 g |
| P-608123671 | 95 | As is | 50 g |
| P-864138274 | 95 | As is | in stock |
| P-481172123 | 95 | As is | 4 g |
| P-580729056 | 98 | As is | 176.25 g |
| P-851240722 | 95 | As is | by synthesis |
| P-868600479 | 98 | As is | in stock |
| P-580401728 | 95 | As is | by resynthesis (? - ? days) |
| P-905336136 | 97 | As is | 127 g |
| P-861982438 | 97 | As is | 2.23917 kg |
| P-865985731 | 90 | As is | 1.1 g |
| P-890221816 | 90 | As is | 1.1 g |
| P-505496491 | 95 | As is | in stock |
| P-502449935 | 95 | As is | by synthesis |
| P-503247403 | 90 | As is | by synthesis |
| P-492233212 | 95 | As is | in stock |
| P-18793189 | 95 | As is | 100 mg |
| P-454405632 | 95 | As is | 100 g |
| P-579635709 | 95 | As is | by resynthesis (? - ? days) |
| P-860600896 | 95 | As is | 213 mg |
| P-460544630 | 90 | As is | 213 mg |
| P-580511316 | N/A | As is | 24 g |
| P-852412622 | N/A | As is | in stock |
| P-428001692 | 90 | As is | 20 kg |
| P-904721192 | 90 | As is | in stock |
| P-854739953 | 95 | As is | in stock |
| P-12634076 | 90 | As is | 385 mg |
| P-888861365 | N/A | As is | in stock |
| P-885515771 | 95 | As is | by synthesis |
| P-596755963 | 97 | As is | 782.5 g |
| P-33802767 | 90 | As is | in stock |
| P-502362686 | 90 | As is | in stock |
| P-611465391 | 90 | As is | in stock |
| P-893940503 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 164.590 |
| logP | 2.2832 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 0 |
| PSA | 25.78 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 44.548 |
| Atoms | 16 |
| Rings | 2 |
| Heavy atoms | 11 |
| Hydrogen atoms | 5 |
| 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 |
