Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9289682931-0
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 | 5 USD | 99 | 14 working days | Get Quote |
| 5 mg | 5 USD | 99 | 14 working days | Get Quote |
| 10 mg | 5 USD | 99 | 14 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-9289682931-0.sdf |
| SMILES | MCULE-9289682931-0.smiles |
| Standard InChI | MCULE-9289682931-0.inchi |
| InChIKey | MCULE-9289682931-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867533088 | 95 | As is | in stock |
| P-875687379 | N/A | As is | in stock |
| P-869182937 | 98 | As is | in stock |
| P-579760955 | 99 | As is | in stock |
| P-903007152 | 99 | As is | 30.5 kg |
| P-905480201 | 95 | As is | 100 g |
| P-580197843 | 95 | As is | 125 g |
| P-606839945 | N/A | As is | in stock |
| P-489157667 | 97 | As is | in stock |
| P-596935189 | 99 | As is | 500 kg |
| P-889791574 | 95 | As is | in stock |
| P-893237842 | 95 | As is | in stock |
| P-868610867 | 95 | As is | in stock |
| P-889116995 | 95 | As is | 1.102 kg |
| P-905350028 | 95 | As is | 3.61 kg |
| P-862056933 | 95 | As is | 182.262 kg |
| P-870663048 | 98 | As is | in stock |
| P-505491361 | 95 | As is | in stock |
| P-890849907 | 95 | As is | in stock |
| P-856009918 | 95 | As is | 100 mg |
| P-579624487 | 99 | As is | unavailable |
| P-31274507 | 90 | As is | 10 g |
| P-856042735 | 90 | As is | 10 g |
| P-580494166 | N/A | As is | by synthesis |
| P-904639823 | 95 | As is | in stock |
| P-854691711 | 95 | As is | in stock |
| P-888172489 | 98 | As is | by synthesis |
| P-870975223 | 90 | As is | 5.143 g |
| P-885516631 | 95 | As is | by synthesis |
| P-617403605 | N/A | As is | in stock |
| P-896079919 | N/A | As is | 12.31 g |
| P-892274592 | 95 | As is | by synthesis |
| P-869178429 | 95 | As is | in stock |
| P-892299417 | 95 | As is | 1.002 g |
| P-892351001 | 95 | As is | 1.002 g |
| P-906898763 | 99 | As is | in stock |
| P-611365279 | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 166.130 |
| logP | 1.083 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 74.6 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 40.3606 |
| Atoms | 18 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 6 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |
