Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9889870099
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 | 6 USD | 98 | 22 working days | Get Quote |
| 5 mg | 6 USD | 98 | 22 working days | Get Quote |
| 10 mg | 6 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-9889870099.sdf |
| SMILES | MCULE-9889870099.smiles |
| Standard InChI | MCULE-9889870099.inchi |
| InChIKey | MCULE-9889870099.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867561710 | 98 | As is | in stock |
| P-867303655 | N/A | As is | by synthesis |
| P-535626427 | 95 | As is | in stock |
| P-869274406 | 95 | As is | in stock |
| P-505392351 | 98 | As is | in stock |
| P-874652716 | 95 | As is | in stock |
| P-893363009 | 90 | As is | by synthesis |
| P-606912114 | N/A | As is | in stock |
| P-851435683 | N/A | As is | by synthesis |
| P-881622556 | N/A | As is | by synthesis |
| P-596945705 | 98 | As is | 204 kg |
| P-895928416 | 95 | As is | by resynthesis (? - ? days) |
| P-494329412 | 95 | As is | by resynthesis (? - ? days) |
| P-589655574 | 95 | As is | by resynthesis (? - ? days) |
| P-889500881 | 95 | As is | by synthesis |
| P-864182027 | 95 | As is | in stock |
| P-901455400 | 95 | As is | by synthesis |
| P-580422743 | 95 | As is | by resynthesis (? - ? days) |
| P-580442855 | 95 | As is | by resynthesis (? - ? days) |
| P-492234180 | 95 | As is | in stock |
| P-488549505 | 90 | As is | in stock |
| P-454408408 | 95 | As is | 500 g |
| P-613284481 | 95 | As is | by synthesis |
| P-650818577 | 90 | As is | by synthesis |
| P-620223380 | 95 | As is | 1000 mg |
| P-620068344 | 90 | As is | 1000 mg |
| P-454371681 | 92 | As is | in stock |
| P-885528472 | 95 | As is | by synthesis |
| P-424840213 | 90 | As is | in stock |
| P-596765885 | 95 | As is | 780 g |
| P-502333767 | 90 | As is | in stock |
| P-22499737 | 90 | As is | 1000 mg |
| P-906878307 | 95 | As is | by synthesis |
| P-611557531 | 90 | As is | in stock |
| P-855032235 | 90 | As is | in stock |
| P-464681243 | 90 | As is | 363 mg |
| P-25490015 | 90 | As is | 363 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 108.102 |
| logP | 0.56316 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 0 |
| PSA | 99.62 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 25.7808 |
| Atoms | 12 |
| Rings | 0 |
| Heavy atoms | 8 |
| Hydrogen atoms | 4 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
