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Ribocil B

CAT: 0931-T13869-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T13869-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1825355-55-2
Target
Others, Antibacterial
Related Pathways
Others, Microbiology/Virology
Bioactivity
Ribocil-B is the active S-isomer of ribocil, capable of inhibiting flavin mononucleotide (FMN, KD of 6.6 nM) .
Smiles
O=C1N=C(NC(=C1)C2=CC=CS2)[C@@H]3CN(CC=4C=NC(NC)=NC4)CCC3
Molecular Formula
C19H22N6OS
Molecular Weight
382.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-[(3s)-1-{[2-(Methylamino)pyrimidin-5-Yl]methyl}piperidin-3-Yl]-6-(Thiophen-2-Yl)pyrimidin-4(1h)-One
CAS Number1825355-55-2
PubChem CID135567058
IUPAC Name2-[(3S)-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)CN2CCC[C@@H](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)/t14-/m0/s1
InChIKey
ZSXCVAIJFUEGJR-AWEZNQCLSA-N
Chemical Structure
2D Structure
2D structure of 2-[(3s)-1-{[2-(Methylamino)pyrimidin-5-Yl]methyl}piperidin-3-Yl]-6-(Thiophen-2-Yl)pyrimidin-4(1h)-One
CAS: 1825355-55-2
CID: 135567058
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 Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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