Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8130183103
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 | 19 USD | 92 | 18 working days | Get Quote |
| 5 mg | 29 USD | 92 | 18 working days | Get Quote |
| 10 mg | 36 USD | 92 | 18 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-8130183103.sdf |
| SMILES | MCULE-8130183103.smiles |
| Standard InChI | MCULE-8130183103.inchi |
| InChIKey | MCULE-8130183103.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-852136941 | 95 | As is | by synthesis |
| P-901286709 | N/A | As is | in stock |
| P-851625788 | N/A | As is | by synthesis |
| P-901362422 | 95 | As is | by synthesis |
| P-590859124 | 95 | As is | by synthesis |
| P-5614241 | 90 | As is | 5 mg |
| P-454683344 | 90 | As is | in stock |
| P-4991889 | 90 | As is | 8 mg |
| P-436442569 | 90 | As is | 4.97 g |
| P-152765 | 90 | As is | 1.4 g |
| P-436473368 | 95 | As is | in stock |
| P-34858445 | 90 | As is | in stock |
| P-893622517 | 95 | As is | in stock |
| P-34518563 | 90 | As is | by synthesis |
| P-580787532 | 90 | As is | by resynthesis (? - ? days) |
| P-12649077 | 95 | As is | 255 mg |
| P-855977670 | 95 | As is | 5 g |
| P-852533290 | N/A | As is | in stock |
| P-445294583 | 92 | As is | 255 mg |
| P-18957930 | 90 | As is | in stock |
| P-454117992 | 90 | As is | 21 mg |
| P-502337065 | 90 | As is | in stock |
| P-22492652 | 90 | As is | 129 mg |
| P-855237265 | 90 | As is | in stock |
| P-558610 | 90 | As is | 1.113 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 301.344 |
| logP | 2.7239 |
| H-bond acceptors | 7 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 78.91 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 93.6767 |
| Atoms | 41 |
| Rings | 3 |
| Heavy atoms | 22 |
| Hydrogen atoms | 19 |
| Heteroatoms | 7 |
| N/O atoms | 7 |
| 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 |
