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A110

CAT: 0931-T26463-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T26463-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1185388-35-5
Target
Others, Parasite
Related Pathways
Others, Microbiology/Virology
Bioactivity
A110 is a potent and selective IMPDHs inhibitor. It binds to the NAD (+) cofactor site and forms a ternary complex with IMP.
Smiles
O([C@H](C)C1=CN(N=N1)C2=CC=C(Cl)C=C2)C=3C4=C(N(=O)=CC3)C=CC=C4
Molecular Formula
C19H15ClN4O2
Molecular Weight
366.8
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-[(1r)-1-[1-(4-Chlorophenyl)-1,2,3-Triazol-4-Yl]ethoxy]-1-Oxidanyl-Quinoline
CAS Number1185388-35-5
PubChem CID44220271
IUPAC Name4-[(1R)-1-[1-(4-chlorophenyl)triazol-4-yl]ethoxy]-1-oxidoquinolin-1-ium
Molecular FormulaC19H15ClN4O2
Molecular Weight366.8
XLogP3.2
Topological Polar Surface Area65.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity463
SMILES
C[C@H](C1=CN(N=N1)C2=CC=C(C=C2)Cl)OC3=CC=[N+](C4=CC=CC=C43)[O-]
InChI
InChI=1S/C19H15ClN4O2/c1-13(17-12-23(22-21-17)15-8-6-14(20)7-9-15)26-19-10-11-24(25)18-5-3-2-4-16(18)19/h2-13H,1H3/t13-/m1/s1
InChIKey
SVKHERCOWKMPQO-CYBMUJFWSA-N
Chemical Structure
2D Structure
2D structure of 4-[(1r)-1-[1-(4-Chlorophenyl)-1,2,3-Triazol-4-Yl]ethoxy]-1-Oxidanyl-Quinoline
CAS: 1185388-35-5
CID: 44220271
Formula: C19H15ClN4O2
MW: 366.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight366.8
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass366.0883534
Monoisotopic Mass366.0883534
Topological Polar Surface Area65.4 Ų
Heavy Atom Count26
Formal Charge0
Complexity463
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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