Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8990704424
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 | 19 USD | 92 | 18 working days | Get Quote |
| 5 mg | 29 USD | 92 | 18 working days | Get Quote |
| 10 mg | 36 USD | 92 | 18 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-8990704424.sdf |
| SMILES | MCULE-8990704424.smiles |
| Standard InChI | MCULE-8990704424.inchi |
| InChIKey | MCULE-8990704424.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867594852 | 95 | As is | in stock |
| P-852135673 | 95 | As is | by synthesis |
| P-615710154 | 95 | As is | in stock |
| P-869310221 | 95 | As is | in stock |
| P-851521460 | N/A | As is | by synthesis |
| P-851579227 | N/A | As is | by synthesis |
| P-596282959 | 90 | As is | 33 mg |
| P-901351425 | 95 | As is | by synthesis |
| P-563011172 | 95 | As is | in stock |
| P-454704164 | 90 | As is | in stock |
| P-3725270 | 90 | As is | 141 mg |
| P-436455339 | 95 | As is | 10 g |
| P-425256009 | 90 | As is | in stock |
| P-19979935 | 90 | As is | in stock |
| P-34504264 | 90 | As is | in stock |
| P-13158787 | 95 | As is | 300 mg |
| P-596547549 | 95 | As is | 696 mg |
| P-454415958 | 95 | As is | 696 mg |
| P-852484237 | N/A | As is | in stock |
| P-13830102 | 92 | As is | 300 mg |
| P-885526314 | 95 | As is | by synthesis |
| P-23918357 | 90 | As is | in stock |
| P-424947109 | 90 | As is | in stock |
| P-22824978 | 90 | As is | in stock |
| P-888516170 | 94 | As is | by resynthesis (? - ? days) |
| P-888470637 | 94 | As is | by resynthesis (? - ? days) |
| P-611486121 | 90 | As is | in stock |
| P-3236741 | 90 | As is | 1.329 g |
| P-1382135 | 90 | As is | 1.329 g |
| P-1859067 | 90 | As is | 799 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 251.329 |
| logP | 2.0309 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 102.76 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 73.256 |
| Atoms | 25 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 9 |
| Heteroatoms | 5 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
