Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3721465696
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 | 6 USD | 98 | 14 working days | Get Quote |
| 5 mg | 6 USD | 98 | 14 working days | Get Quote |
| 10 mg | 6 USD | 98 | 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.
| Name | File |
|---|---|
| SDF | MCULE-3721465696.sdf |
| SMILES | MCULE-3721465696.smiles |
| Standard InChI | MCULE-3721465696.inchi |
| InChIKey | MCULE-3721465696.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867558049 | 98 | As is | in stock |
| P-875717428 | 98 | As is | in stock |
| P-1275187372 | 98 | As is | in stock |
| P-903045935 | 98 | As is | 3 kg |
| P-1270271291 | 98 | As is | in stock |
| P-606875744 | N/A | As is | in stock |
| P-489158357 | 97 | As is | in stock |
| P-596944132 | 98 | As is | 5 kg |
| P-895924631 | 95 | As is | by resynthesis (? - ? days) |
| P-864126335 | 97 | As is | in stock |
| P-580703711 | 98 | As is | 3.2 kg |
| P-893224163 | 95 | As is | in stock |
| P-4239904 | 90 | As is | 100 mg |
| P-3287320 | 90 | As is | 1.96 g |
| P-28756 | 90 | As is | 111 mg |
| P-425204284 | 90 | As is | in stock |
| P-851284151 | 95 | As is | by synthesis |
| P-868604240 | 97 | As is | in stock |
| P-34742596 | 90 | As is | by synthesis |
| P-580272910 | 95 | As is | by resynthesis (? - ? days) |
| P-1275223535 | 98 | As is | 600 g |
| P-862019053 | 98 | As is | 8.54179 kg |
| P-505495875 | 95 | As is | in stock |
| P-855926484 | 97 | As is | 500 g |
| P-856028772 | 90 | As is | unavailable |
| P-611664559 | 98 | As is | by synthesis |
| P-1279663386 | N/A | As is | in stock |
| P-1279067997 | N/A | As is | by synthesis |
| P-35208807 | 90 | As is | in stock |
| P-854738121 | 95 | As is | in stock |
| P-889870402 | 95 | As is | by synthesis |
| P-19433963 | 90 | As is | in stock |
| P-33449448 | 90 | As is | in stock |
| P-903630316 | 94 | As is | by resynthesis (? - ? days) |
| P-906768741 | 98 | As is | by synthesis |
| P-611372831 | 90 | As is | in stock |
| P-25057983 | 90 | As is | 185 mg |
| P-1279111074 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 292.331 |
| logP | 5.598 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 70.5 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 88.2828 |
| Atoms | 38 |
| Rings | 3 |
| Heavy atoms | 22 |
| Hydrogen atoms | 16 |
| 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 |
