Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9803633016-0
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 | 17 USD | 98 | 22 working days | Get Quote |
| 5 mg | 23 USD | 98 | 22 working days | Get Quote |
| 10 mg | 32 USD | 98 | 20 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-9803633016-0.sdf |
| SMILES | MCULE-9803633016-0.smiles |
| Standard InChI | MCULE-9803633016-0.inchi |
| InChIKey | MCULE-9803633016-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867561319 | 98 | As is | in stock |
| P-590359999 | 98 | As is | in stock |
| P-612943234 | 95 | As is | in stock |
| P-610989800 | 90 | As is | 19.114 g |
| P-606884948 | N/A | As is | in stock |
| P-596945233 | 98 | As is | 1.5 g |
| P-580194272 | 98 | As is | in stock |
| P-895935388 | 95 | As is | by resynthesis (? - ? days) |
| P-596330018 | 90 | As is | 16 mg |
| P-873287596 | 98 | As is | in stock |
| P-885852325 | 95 | As is | in stock |
| P-860798668 | 98 | As is | in stock |
| P-870660487 | 95 | As is | in stock |
| P-675216174 | 95 | As is | in stock |
| P-504503635 | 90 | As is | by synthesis |
| P-502726630 | 90 | As is | in stock |
| P-492240044 | 95 | As is | in stock |
| P-855926177 | 97 | As is | 1000 mg |
| P-26360459 | 90 | As is | 3 mg |
| P-491319033 | 95 | As is | by synthesis |
| P-19763876 | 90 | As is | in stock |
| P-579712216 | N/A | As is | in stock |
| P-869129155 | 95 | As is | by synthesis |
| P-892291803 | 95 | As is | unavailable |
| P-888641580 | 95 | As is | 80 mg |
| P-33455932 | 90 | As is | in stock |
| P-23328294 | 94 | As is | by resynthesis (? - ? days) |
| P-611372571 | 90 | As is | in stock |
| P-2543247 | 90 | As is | 3 mg |
| P-666968848 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 409.406 |
| logP | 4.8744 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 115.0 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 103.4323 |
| Atoms | 37 |
| Rings | 3 |
| Heavy atoms | 27 |
| Hydrogen atoms | 10 |
| Heteroatoms | 9 |
| N/O atoms | 4 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
