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FOL7185

CAT: 0931-T27346-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T27346-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
5441-46-3
Target
Others, Antibacterial
Related Pathways
Microbiology/Virology, Others
Bioactivity
FOL7185 is an inhibitor of IspD and IspE enzymes isolated from bacteria.
Smiles
CN1N=CC2=C1N=CN=C2NCC1=CC=C(Cl)C=C1
Molecular Formula
C13H12ClN5
Molecular Weight
273.72
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-[(4-Chlorophenyl)methyl]-1-Methyl-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CAS Number5441-46-3
PubChem CID228292
IUPAC NameN-[(4-chlorophenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
Molecular FormulaC13H12ClN5
Molecular Weight273.72
XLogP2.6
Topological Polar Surface Area55.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count19
Formal Charge0
Complexity295
SMILES
CN1C2=NC=NC(=C2C=N1)NCC3=CC=C(C=C3)Cl
InChI
InChI=1S/C13H12ClN5/c1-19-13-11(7-18-19)12(16-8-17-13)15-6-9-2-4-10(14)5-3-9/h2-5,7-8H,6H2,1H3,(H,15,16,17)
InChIKey
JMHQWHUUDRUTPU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[(4-Chlorophenyl)methyl]-1-Methyl-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CAS: 5441-46-3
CID: 228292
Formula: C13H12ClN5
MW: 273.72
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight273.72
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass273.0781231
Monoisotopic Mass273.0781231
Topological Polar Surface Area55.6 Ų
Heavy Atom Count19
Formal Charge0
Complexity295
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
MBS5777056FOL7185

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