Products for Research Use Only
RegisterLogin

RO6889678

CAT: 0013-GTR19166888-02Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19166888-02Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
RO6889678 is a small molecule inhibitor targeting the Hepatitis B virus (HBV) . It exhibits a complex absorption, distribution, metabolism, and excretion (ADME) profile. This compound is utilized in research to study HBV replication mechanisms and antiviral strategies in both in vitro and in vivo experimental models.
CAS Number
1578153-27-1
Product Name Alternative
Oxidation, inhibit, glucuronidation, Inhibitor, hepatocytes, Hepatitis B virus, HBV, HB capsid formation, ADME, Cytochrome P450, CYP3A4, CYPs, coregulated protein, RO 6889678, RO6889678, RO-6889678, UDP-glucuronosyltransferase, UGT1A1, UGT1A3
Field of Research
Infectious Disease & Virology, Metabolism Research
Purity
98.42% (May vary between batches)
Solubility
DMSO:55 mg/mL (111.13 mM)
Smiles
COC (=O) C1=C (NC (=N[C@H]1C2=C (C=C (C=C2) F) Cl) C3=NC=CS3) CN4CCOC[C@H]4C (=O) O
Molecular Formula
C21H20ClFN4O5S
Molecular Weight
494.92
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(3S)-4-[[(4R)-4-(2-chloro-4-fluorophenyl)-5-methoxycarbonyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]morpholine-3-carboxylic acid
CAS Number1578153-27-1
PubChem CID89996234
IUPAC Name(3S)-4-[[(4R)-4-(2-chloro-4-fluorophenyl)-5-methoxycarbonyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]morpholine-3-carboxylic acid
Molecular FormulaC21H20ClFN4O5S
Molecular Weight494.9
XLogP-0.5
Topological Polar Surface Area142
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity830
SMILES
COC(=O)C1=C(NC(=N[C@H]1C2=C(C=C(C=C2)F)Cl)C3=NC=CS3)CN4CCOC[C@H]4C(=O)O
InChI
InChI=1S/C21H20ClFN4O5S/c1-31-21(30)16-14(9-27-5-6-32-10-15(27)20(28)29)25-18(19-24-4-7-33-19)26-17(16)12-3-2-11(23)8-13(12)22/h2-4,7-8,15,17H,5-6,9-10H2,1H3,(H,25,26)(H,28,29)/t15-,17-/m0/s1
InChIKey
QJLRUAVQNXTCMO-RDJZCZTQSA-N
Chemical Structure
2D Structure
2D structure of (3S)-4-[[(4R)-4-(2-chloro-4-fluorophenyl)-5-methoxycarbonyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]morpholine-3-carboxylic acid
CAS: 1578153-27-1
CID: 89996234
Formula: C21H20ClFN4O5S
MW: 494.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight494.9
XLogP3-0.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass494.0826968
Monoisotopic Mass494.0826968
Topological Polar Surface Area142 Ų
Heavy Atom Count33
Formal Charge0
Complexity830
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS3847007-01RO6889678
A22490-50RO6889678 50mg
A22490-25RO6889678 25mg
A22490-1RO6889678 1mg
A22490-100RO6889678 100mg
A22490-10RO6889678 10mg
A22490-5RO6889678 5mg
A22490-2RO6889678 2mg
A22490-10mM-DRO6889678 10mM * 1mL in DMSO

Popular Products