Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9935695459
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 | 7 USD | 98 | 22 working days | Get Quote |
| 5 mg | 7 USD | 98 | 22 working days | Get Quote |
| 10 mg | 7 USD | 98 | 22 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-9935695459.sdf |
| SMILES | MCULE-9935695459.smiles |
| Standard InChI | MCULE-9935695459.inchi |
| InChIKey | MCULE-9935695459.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867658638 | 98 | As is | in stock |
| P-875827459 | N/A | As is | in stock |
| P-887313105 | 97 | As is | in stock |
| P-505395782 | 99 | As is | in stock |
| P-903201140 | 98 | As is | 400 g |
| P-905478287 | 97 | As is | 100 g |
| P-851953450 | N/A | As is | in stock |
| P-489107925 | 97 | As is | in stock |
| P-596977189 | 98 | As is | 125 g |
| P-889452474 | 98 | As is | by synthesis |
| P-619605552 | 98 | As is | 2.705 kg |
| P-893235252 | 95 | As is | in stock |
| P-868578415 | 98 | As is | in stock |
| P-580304967 | 95 | As is | by resynthesis (? - ? days) |
| P-905339179 | 98 | As is | 150 g |
| P-855993127 | 98 | As is | 100 mg |
| P-524167758 | 98 | As is | 100 g |
| P-579635619 | 95 | As is | by resynthesis (? - ? days) |
| P-500374079 | 98 | As is | by synthesis |
| P-885547496 | 95 | As is | by synthesis |
| P-33209274 | 90 | As is | in stock |
| P-906764361 | 98 | As is | by synthesis |
| P-611366140 | 90 | As is | in stock |
| P-893995223 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 202.205 |
| logP | 2.8901 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 49.69 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 57.004 |
| Atoms | 25 |
| Rings | 2 |
| Heavy atoms | 15 |
| Hydrogen atoms | 10 |
| Heteroatoms | 3 |
| 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 |
