Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3500830747
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 | 40 USD | 90 | 22 working days | Get Quote |
| 5 mg | 58 USD | 90 | 22 working days | Get Quote |
| 10 mg | 73 USD | 90 | 22 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-3500830747.sdf |
| SMILES | MCULE-3500830747.smiles |
| Standard InChI | MCULE-3500830747.inchi |
| InChIKey | MCULE-3500830747.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867315675 | 95 | As is | by synthesis |
| P-889950377 | N/A | As is | by synthesis |
| P-869331930 | 95 | As is | in stock |
| P-893455076 | 90 | As is | 3.678 g |
| P-881617209 | N/A | As is | by synthesis |
| P-889816400 | 95 | As is | by synthesis |
| P-890224487 | 95 | As is | by synthesis |
| P-3513558 | 90 | As is | 25 mg |
| P-454631622 | 90 | As is | in stock |
| P-15151708 | 90 | As is | 239.995 g |
| P-436442604 | 90 | As is | 9.19 g |
| P-330891 | 90 | As is | 947 mg |
| P-436469112 | 95 | As is | in stock |
| P-34726824 | 90 | As is | by synthesis |
| P-580787556 | 90 | As is | by resynthesis (? - ? days) |
| P-575335549 | 95 | As is | in stock |
| P-502738796 | 90 | As is | in stock |
| P-492216599 | 95 | As is | in stock |
| P-596587129 | 90 | As is | 5 g |
| P-601060676 | 90 | As is | 666 mg |
| P-14063838 | 95 | As is | 666 mg |
| P-852448366 | N/A | As is | in stock |
| P-895262690 | 95 | As is | by synthesis |
| P-596795632 | 95 | As is | by synthesis |
| P-19149796 | 90 | As is | in stock |
| P-33445084 | 90 | As is | in stock |
| P-502337094 | 90 | As is | in stock |
| P-907286608 | 94 | As is | by resynthesis (? - ? days) |
| P-907263605 | 94 | As is | by resynthesis (? - ? days) |
| P-855248042 | 90 | As is | in stock |
| P-1118478 | 90 | As is | 2.422 g |
| P-3224747 | 90 | As is | 2.422 g |
| P-893729610 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 216.235 |
| logP | 2.3917 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 65.98 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 60.915 |
| Atoms | 28 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 12 |
| 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 |
