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VUN65671

CAT: 1410-M28888-01Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1410-M28888-01Size:1 Each
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Description
VUN65671is a Potent Entry Inhibitor of Ebola and Marburg Virus Infections. VUN65671 was reported in Journal of Medicinal Chemistry (2020), 63 (13), 7211-7225. This product has no formal name at the moment.
CAS Number
2479465-67-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
461.52
Molecular Formula
C25H30F3N3O2
Notes
Research use only, not for human use.
Receptor
SGLT2

Chemical Information

Ebov/marv-IN-1
CAS Number2479465-67-1
PubChem CID154729054
IUPAC NameN-[4-(4-methylpiperidin-1-yl)-3-(trifluoromethyl)phenyl]-4-(morpholin-4-ylmethyl)benzamide
Molecular FormulaC25H30F3N3O2
Molecular Weight461.5
XLogP4.5
Topological Polar Surface Area44.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity625
SMILES
CC1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)CN4CCOCC4)C(F)(F)F
InChI
InChI=1S/C25H30F3N3O2/c1-18-8-10-31(11-9-18)23-7-6-21(16-22(23)25(26,27)28)29-24(32)20-4-2-19(3-5-20)17-30-12-14-33-15-13-30/h2-7,16,18H,8-15,17H2,1H3,(H,29,32)
InChIKey
VVJSZYWIEBDKTC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ebov/marv-IN-1
CAS: 2479465-67-1
CID: 154729054
Formula: C25H30F3N3O2
MW: 461.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight461.5
XLogP34.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass461.22901169
Monoisotopic Mass461.22901169
Topological Polar Surface Area44.8 Ų
Heavy Atom Count33
Formal Charge0
Complexity625
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

Alternative Products

CatalogName
T9761-01VUN65671

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