Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9861309503-0
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 | 19 USD | 92 | 18 working days | Get Quote |
| 5 mg | 29 USD | 92 | 18 working days | Get Quote |
| 10 mg | 36 USD | 95 | 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-9861309503-0.sdf |
| SMILES | MCULE-9861309503-0.smiles |
| Standard InChI | MCULE-9861309503-0.inchi |
| InChIKey | MCULE-9861309503-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-892862762 | 95 | As is | in stock |
| P-875790011 | N/A | As is | in stock |
| P-613849504 | 95 | As is | in stock |
| P-851897191 | N/A | As is | by synthesis |
| P-489134092 | 97 | As is | in stock |
| P-596408909 | 90 | As is | 20 mg |
| P-596492511 | 90 | As is | 20 mg |
| P-905463268 | 95 | As is | in stock |
| P-591067125 | 95 | As is | by synthesis |
| P-492251795 | 95 | As is | in stock |
| P-577172325 | 90 | As is | by synthesis |
| P-577214049 | 90 | As is | 37 mg |
| P-868573171 | 98 | As is | in stock |
| P-580426173 | 95 | As is | by resynthesis (? - ? days) |
| P-864497429 | 90 | As is | in stock |
| P-428629625 | 90 | As is | in stock |
| P-864497296 | 90 | As is | in stock |
| P-904200544 | 95 | As is | 5.91 g |
| P-861946822 | 95 | As is | 1000 mg |
| P-502486766 | 95 | As is | by synthesis |
| P-503221599 | 90 | As is | by synthesis |
| P-580041786 | 90 | As is | in stock |
| P-492229809 | 95 | As is | in stock |
| P-488551824 | 90 | As is | in stock |
| P-13790502 | 95 | As is | 300 mg |
| P-31185674 | 90 | As is | 1000 mg |
| P-856044707 | 90 | As is | 1000 mg |
| P-588252662 | N/A | As is | by synthesis |
| P-674796186 | 90 | As is | 5.91 g |
| P-620216059 | 95 | As is | 5.91 g |
| P-454369653 | 92 | As is | in stock |
| P-13979713 | 92 | As is | 300 mg |
| P-856064231 | 95 | As is | in stock |
| P-18958270 | 90 | As is | in stock |
| P-502333612 | 90 | As is | in stock |
| P-23298682 | 94 | As is | by resynthesis (? - ? days) |
| P-906834521 | 95 | As is | by synthesis |
| P-611607273 | 90 | As is | in stock |
| P-3228945 | 90 | As is | 4.315 g |
| P-559963 | 90 | As is | 4.315 g |
| P-3242082 | 90 | As is | 4.315 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 222.622 |
| logP | 3.2982 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 50.44 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 56.1133 |
| Atoms | 22 |
| Rings | 2 |
| Heavy atoms | 15 |
| Hydrogen atoms | 7 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
