Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
UNKNOWN STEREO
MCULE-9495128592
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 | 7 USD | 98 | 22 working days | Get Quote |
| 10 mg | 7 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-9495128592.sdf |
| SMILES | MCULE-9495128592.smiles |
| Standard InChI | MCULE-9495128592.inchi |
| InChIKey | MCULE-9495128592.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867569654 | 98 | As is | in stock |
| P-875730078 | N/A | As is | in stock |
| P-580237755 | 95 | As is | by synthesis |
| P-606856421 | N/A | As is | in stock |
| P-596948973 | 98 | As is | 4.5 kg |
| P-864119145 | 95 | As is | in stock |
| P-872868122 | 100 | As is | in stock |
| P-893243287 | 95 | As is | in stock |
| P-488555445 | 92 | As is | in stock |
| P-488543395 | 90 | As is | in stock |
| P-904720807 | 90 | As is | in stock |
| P-454363603 | 92 | As is | in stock |
| P-500381597 | 98 | As is | by synthesis |
| P-12268747 | 90 | As is | 12 mg |
| P-869108012 | 95 | As is | by synthesis |
| P-892286662 | 95 | As is | 1.091 g |
| P-888627056 | 95 | As is | 1.091 g |
| P-611348688 | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 244.205 |
| logP | -2.3112 |
| H-bond acceptors | 9 |
| H-bond donors | 4 |
| Rotatable bonds | 3 |
| PSA | 143.72 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 51.0633 |
| Atoms | 29 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 12 |
| Heteroatoms | 9 |
| N/O atoms | 9 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 4 |
| 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 |
