Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6102974633-0
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 | 29 USD | 95 | 12 working days | Get Quote |
| 5 mg | 29 USD | 95 | 12 working days | Get Quote |
| 10 mg | 29 USD | 95 | 12 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-6102974633-0.sdf |
| SMILES | MCULE-6102974633-0.smiles |
| Standard InChI | MCULE-6102974633-0.inchi |
| InChIKey | MCULE-6102974633-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-872841777 | 98 | As is | in stock |
| P-875879117 | 98 | As is | in stock |
| P-903389179 | 98 | As is | 200 mg |
| P-893573262 | 90 | As is | 2.15 g |
| P-1270353883 | 96 | As is | in stock |
| P-868961930 | N/A | As is | by synthesis |
| P-888831866 | 96 | As is | 100 mg |
| P-1273255240 | 95 | As is | by resynthesis (? - ? days) |
| P-596509825 | 90 | As is | 93 mg |
| P-596310361 | 90 | As is | 93 mg |
| P-889788154 | 95 | As is | in stock |
| P-868958000 | 96 | As is | by synthesis |
| P-4782318 | 90 | As is | 25 mg |
| P-619340493 | 90 | As is | 1 mg |
| P-889732273 | 95 | As is | by synthesis |
| P-888624347 | 95 | As is | 1 mg |
| P-901840429 | 95 | As is | in stock |
| P-18954327 | 90 | As is | in stock |
| P-12558924 | 90 | As is | 179 mg |
| P-892299035 | 95 | As is | unavailable |
| P-892273950 | 95 | As is | 1.008 g |
| P-892350466 | 95 | As is | 1.008 g |
| P-22817718 | 90 | As is | in stock |
| P-903648286 | 94 | As is | by resynthesis (? - ? days) |
| P-906850334 | 95 | As is | by synthesis |
| P-544438 | 90 | As is | 345 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 346.378 |
| logP | 3.4311 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 7 |
| PSA | 89.65 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 90.0728 |
| Atoms | 39 |
| Rings | 3 |
| Heavy atoms | 24 |
| Hydrogen atoms | 15 |
| Heteroatoms | 7 |
| N/O atoms | 5 |
| 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 |
