Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2796946015
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 | 40 USD | 95 | 7 working days | Get Quote |
| 5 mg | 63 USD | 98 | 22 working days | Get Quote |
| 10 mg | 106 USD | 98 | 22 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-2796946015.sdf |
| SMILES | MCULE-2796946015.smiles |
| Standard InChI | MCULE-2796946015.inchi |
| InChIKey | MCULE-2796946015.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867619303 | 98 | As is | in stock |
| P-875781222 | 98 | As is | in stock |
| P-869225600 | 95 | As is | by resynthesis (? - ? days) |
| P-903126510 | 98 | As is | 100 mg |
| P-1264051889 | 99 | As is | in stock |
| P-610989545 | 90 | As is | 16.402 g |
| P-1270338959 | 98 | As is | in stock |
| P-901179072 | N/A | As is | in stock |
| P-868829942 | 98 | As is | 100 mg |
| P-1273260340 | 95 | As is | by resynthesis (? - ? days) |
| P-901334695 | 95 | As is | in stock |
| P-868544835 | 100 | As is | in stock |
| P-901916952 | 98 | As is | 131 mg |
| P-901553514 | 95 | As is | by synthesis |
| P-871212919 | 95 | As is | by synthesis |
| P-887182857 | 95 | As is | by synthesis |
| P-608496662 | 95 | As is | in stock |
| P-1273110800 | 97 | As is | 100 mg |
| P-1274584104 | 95 | As is | by synthesis |
| P-854715939 | 95 | As is | in stock |
| P-584619406 | 95 | As is | in stock |
| P-888173456 | 98 | As is | by synthesis |
| P-873279886 | N/A | As is | in stock |
| P-869119252 | 95 | As is | 934 mg |
| P-892289106 | 95 | As is | 934 mg |
| P-888634189 | 95 | As is | 934 mg |
| P-855066122 | 90 | As is | in stock |
| P-1271686441 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 591.665 |
| logP | 8.8468 |
| H-bond acceptors | 6 |
| H-bond donors | 0 |
| Rotatable bonds | 9 |
| PSA | 101.42 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 146.909 |
| Atoms | 68 |
| Rings | 4 |
| Heavy atoms | 40 |
| Hydrogen atoms | 28 |
| Heteroatoms | 11 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| 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 |
