Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1109099300
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 | 29 USD | 95 | 7 working days | Get Quote |
| 5 mg | 47 USD | 98 | 16 working days | Get Quote |
| 10 mg | 52 USD | 98 | 11 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-1109099300.sdf |
| SMILES | MCULE-1109099300.smiles |
| Standard InChI | MCULE-1109099300.inchi |
| InChIKey | MCULE-1109099300.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867635793 | 98 | As is | in stock |
| P-875801398 | N/A | As is | in stock |
| P-613852904 | 98 | As is | in stock |
| P-903155339 | 98 | As is | 750 mg |
| P-1264049744 | 95 | As is | in stock |
| P-893524110 | 90 | As is | 1.869 g |
| P-851935946 | N/A | As is | in stock |
| P-25940677 | 70 | As is | 65 mg |
| P-596985424 | 98 | As is | 750 mg |
| P-872728487 | 98 | As is | in stock |
| P-864154408 | 95 | As is | in stock |
| P-900154660 | 97 | As is | in stock |
| P-608391590 | 98 | As is | 433 mg |
| P-893238839 | 95 | As is | in stock |
| P-452654111 | 98 | As is | in stock |
| P-893624088 | 95 | As is | by synthesis |
| P-579477428 | 95 | As is | in stock |
| P-870660802 | N/A | As is | in stock |
| P-505513209 | 95 | As is | in stock |
| P-855984019 | 97 | As is | 50 mg |
| P-896627529 | 95 | As is | by synthesis |
| P-854690658 | 95 | As is | in stock |
| P-608279736 | 98 | As is | in stock |
| P-885533710 | 95 | As is | by synthesis |
| P-617404801 | N/A | As is | in stock |
| P-580052473 | 95 | As is | by synthesis |
| P-869178155 | 95 | As is | in stock |
| P-892298164 | 95 | As is | unavailable |
| P-892347060 | 95 | As is | 35 mg |
| P-893988758 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 374.340 |
| logP | 2.9056 |
| H-bond acceptors | 8 |
| H-bond donors | 2 |
| Rotatable bonds | 5 |
| PSA | 107.59 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 97.934 |
| Atoms | 45 |
| Rings | 3 |
| Heavy atoms | 27 |
| Hydrogen atoms | 18 |
| Heteroatoms | 8 |
| N/O atoms | 8 |
| 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 |
