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NVR 3-778

CAT: 0013-GTR19174757-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19174757-05Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
NVR 3-778
CAS Number
1445790-55-5
Product Name Alternative
Assembly, CAM, chronic, capsid, Inhibitor, HBV, Hepatitis B virus, Hepatitis, NVR 3 778, NVR 3778, NVR 3-778, modulator, inhibit, virus
Field of Research
Infectious Disease & Virology
Purity
99.74% (May vary between batches)
Solubility
DMSO:60 mg/mL (138.76 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (4.63 mM)
Smiles
OC1CCN (CC1) S (=O) (=O) c1cc (ccc1F) C (=O) Nc1cc (F) c (F) c (F) c1
Molecular Formula
C18H16F4N2O4S
Molecular Weight
432.39
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-fluoro-3-(4-hydroxypiperidin-1-yl)sulfonyl-N-(3,4,5-trifluorophenyl)benzamide
CAS Number1445790-55-5
PubChem CID89663273
IUPAC Name4-fluoro-3-(4-hydroxypiperidin-1-yl)sulfonyl-N-(3,4,5-trifluorophenyl)benzamide
Molecular FormulaC18H16F4N2O4S
Molecular Weight432.4
XLogP2.2
Topological Polar Surface Area95.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity672
SMILES
C1CN(CCC1O)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC(=C(C(=C3)F)F)F)F
InChI
InChI=1S/C18H16F4N2O4S/c19-13-2-1-10(18(26)23-11-8-14(20)17(22)15(21)9-11)7-16(13)29(27,28)24-5-3-12(25)4-6-24/h1-2,7-9,12,25H,3-6H2,(H,23,26)
InChIKey
KKMFSVNFPUPGCA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-fluoro-3-(4-hydroxypiperidin-1-yl)sulfonyl-N-(3,4,5-trifluorophenyl)benzamide
CAS: 1445790-55-5
CID: 89663273
Formula: C18H16F4N2O4S
MW: 432.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight432.4
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass432.07669082
Monoisotopic Mass432.07669082
Topological Polar Surface Area95.1 Ų
Heavy Atom Count29
Formal Charge0
Complexity672
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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