Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7993816491-0
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 | 6 USD | 98 | 22 working days | Get Quote |
| 5 mg | 8 USD | 98 | 22 working days | Get Quote |
| 10 mg | 8 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-7993816491-0.sdf |
| SMILES | MCULE-7993816491-0.smiles |
| Standard InChI | MCULE-7993816491-0.inchi |
| InChIKey | MCULE-7993816491-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867659060 | 98 | As is | in stock |
| P-875827347 | N/A | As is | in stock |
| P-869193113 | 98 | As is | in stock |
| P-505353123 | N/A | As is | in stock |
| P-903201588 | 99 | As is | 1000 g |
| P-580247558 | 95 | As is | by synthesis |
| P-606850579 | N/A | As is | in stock |
| P-489153358 | 97 | As is | in stock |
| P-596971726 | 99 | As is | 1000 g |
| P-864193219 | 95 | As is | in stock |
| P-860055529 | 99 | As is | by synthesis |
| P-580722536 | 98 | As is | 125 g |
| P-893230667 | 95 | As is | in stock |
| P-34883698 | 90 | As is | in stock |
| P-851268340 | 95 | As is | by synthesis |
| P-580450292 | 99 | As is | in stock |
| P-868577742 | 97 | As is | in stock |
| P-579477342 | 95 | As is | in stock |
| P-870652526 | N/A | As is | in stock |
| P-505493121 | 95 | As is | in stock |
| P-890852873 | 90 | As is | in stock |
| P-488555816 | 92 | As is | in stock |
| P-488546393 | 90 | As is | in stock |
| P-524440346 | 97 | As is | 468 mg |
| P-895218105 | 95 | As is | by synthesis |
| P-854715309 | 95 | As is | in stock |
| P-474023721 | 95 | As is | in stock |
| P-608273996 | 98 | As is | in stock |
| P-881193947 | 90 | As is | 250 mg |
| P-454366210 | 92 | As is | in stock |
| P-500374873 | 98 | As is | by synthesis |
| P-885524263 | 95 | As is | by synthesis |
| P-19627384 | 90 | As is | in stock |
| P-579711098 | N/A | As is | in stock |
| P-869119051 | 95 | As is | by synthesis |
| P-892289042 | 95 | As is | unavailable |
| P-888634023 | 95 | As is | 202 mg |
| P-873223238 | 90 | As is | in stock |
| P-22515982 | 90 | As is | 1000 mg |
| P-906766000 | 98 | As is | by synthesis |
| P-611435539 | 90 | As is | in stock |
| P-611435519 | 90 | As is | in stock |
| P-855010958 | 90 | As is | in stock |
| P-3229185 | 90 | As is | 10 mg |
| P-2253440 | 90 | As is | 10 mg |
| P-854650949 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 323.413 |
| logP | 3.4303 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 5 |
| PSA | 86.89 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 86.9264 |
| Atoms | 43 |
| Rings | 3 |
| Heavy atoms | 22 |
| Hydrogen atoms | 21 |
| Heteroatoms | 7 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
