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Ribocil

CAT: 1410-M11578-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:1410-M11578-01Size:2 mg
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Description
Ribocil is a synthetic mimic of riboflavin 5’-monophosphate (FMN) that competes with the natural ligand to inhibit FMN riboswitch-mediated expression of ribB.
CAS Number
1381289-58-2
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
382.4826
Molecular Formula
C19H22N6OS
Notes
Research use only, not for human use.
Receptor
Antibacterial

Chemical Information

Ribocil
CAS Number1381289-58-2
PubChem CID136881500
IUPAC Name2-[1-[[2-(methylamino)pyrimidin-5-yl]methyl]piperidin-3-yl]-4-thiophen-2-yl-1H-pyrimidin-6-one
Molecular FormulaC19H22N6OS
Molecular Weight382.5
XLogP1.2
Topological Polar Surface Area111
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity601
SMILES
CNC1=NC=C(C=N1)CN2CCCC(C2)C3=NC(=CC(=O)N3)C4=CC=CS4
InChI
InChI=1S/C19H22N6OS/c1-20-19-21-9-13(10-22-19)11-25-6-2-4-14(12-25)18-23-15(8-17(26)24-18)16-5-3-7-27-16/h3,5,7-10,14H,2,4,6,11-12H2,1H3,(H,20,21,22)(H,23,24,26)
InChIKey
ZSXCVAIJFUEGJR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ribocil
CAS: 1381289-58-2
CID: 136881500
Formula: C19H22N6OS
MW: 382.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight382.5
XLogP31.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass382.15758052
Monoisotopic Mass382.15758052
Topological Polar Surface Area111 Ų
Heavy Atom Count27
Formal Charge0
Complexity601
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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A20761-1Ribocil 1mg

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