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JPD447

CAT: 0931-T74149-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T74149-05Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2883235-86-5
Target
Antibacterial
Related Pathways
Microbiology/Virology
Purity
0.9969
Bioactivity
JPD447 is a MAC-0547630 derivative that potentiates UppS inhibitors of β-lactam antibiotics with antimicrobial activity and can be used to study bacterial infections.
Smiles
FC1=CC=C(C=C1)C=2C=NN3C2N=C(C=C3N4CCCCCC4)CC
Molecular Formula
C20H23FN4
Molecular Weight
338.42
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

7-(Azepan-1-yl)-5-ethyl-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine
CAS Number2883235-86-5
PubChem CID156587346
IUPAC Name7-(azepan-1-yl)-5-ethyl-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine
Molecular FormulaC20H23FN4
Molecular Weight338.4
XLogP4.5
Topological Polar Surface Area33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity418
SMILES
CCC1=NC2=C(C=NN2C(=C1)N3CCCCCC3)C4=CC=C(C=C4)F
InChI
InChI=1S/C20H23FN4/c1-2-17-13-19(24-11-5-3-4-6-12-24)25-20(23-17)18(14-22-25)15-7-9-16(21)10-8-15/h7-10,13-14H,2-6,11-12H2,1H3
InChIKey
BQIPJVLJUIILIA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-(Azepan-1-yl)-5-ethyl-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine
CAS: 2883235-86-5
CID: 156587346
Formula: C20H23FN4
MW: 338.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight338.4
XLogP34.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass338.19067491
Monoisotopic Mass338.19067491
Topological Polar Surface Area33.4 Ų
Heavy Atom Count25
Formal Charge0
Complexity418
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
GTR19221465-01JPD447

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