Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1649733391-0
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 | 25 USD | 98 | 16 working days | Get Quote |
| 5 mg | 25 USD | 98 | 16 working days | Get Quote |
| 10 mg | 39 USD | 98 | 15 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-1649733391-0.sdf |
| SMILES | MCULE-1649733391-0.smiles |
| Standard InChI | MCULE-1649733391-0.inchi |
| InChIKey | MCULE-1649733391-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867627248 | 99 | As is | in stock |
| P-875790946 | 98 | As is | in stock |
| P-1275163441 | 98 | As is | in stock |
| P-580195270 | 98 | As is | in stock |
| P-1264047907 | 99 | As is | in stock |
| P-610975101 | 90 | As is | 21.665 g |
| P-1270393025 | 98 | As is | in stock |
| P-606863904 | N/A | As is | in stock |
| P-489238498 | 97 | As is | in stock |
| P-596965815 | 98 | As is | 200 mg |
| P-605394414 | 95 | As is | by resynthesis (? - ? days) |
| P-1273453257 | 95 | As is | by resynthesis (? - ? days) |
| P-596362913 | 90 | As is | 92 mg |
| P-864139835 | 97 | As is | in stock |
| P-860056258 | 98 | As is | by synthesis |
| P-580719051 | 98 | As is | 116 mg |
| P-674221791 | 90 | As is | 92 mg |
| P-675042710 | 90 | As is | in stock |
| P-851278712 | 95 | As is | by synthesis |
| P-860797893 | 98 | As is | in stock |
| P-887967455 | 98 | As is | in stock |
| P-34819812 | 90 | As is | by synthesis |
| P-579479985 | 95 | As is | in stock |
| P-862113364 | 98 | As is | 500 mg |
| P-868078802 | 95 | As is | in stock |
| P-503960944 | 90 | As is | by synthesis |
| P-856009683 | 98 | As is | 20 mg |
| P-14066884 | 90 | As is | 6.657 g |
| P-854717493 | 95 | As is | in stock |
| P-474027144 | 95 | As is | in stock |
| P-878641441 | 98 | As is | in stock |
| P-491319561 | 95 | As is | by synthesis |
| P-24084202 | 90 | As is | in stock |
| P-579712475 | 98 | As is | in stock |
| P-892291378 | 95 | As is | unavailable |
| P-869127188 | 95 | As is | 39 mg |
| P-888640356 | 95 | As is | 39 mg |
| P-22803702 | 90 | As is | in stock |
| P-873066179 | 94 | As is | by resynthesis (? - ? days) |
| P-873061859 | 94 | As is | by resynthesis (? - ? days) |
| P-855005213 | 90 | As is | in stock |
| P-855245885 | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 332.420 |
| logP | 4.97708 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 81.13 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 98.1862 |
| Atoms | 40 |
| Rings | 4 |
| Heavy atoms | 24 |
| Hydrogen atoms | 16 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| 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 |
