Products for Research Use Only

KDU691

CAT: 0013-GTR19168449-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19168449-02Size:5 mg
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Description
KDU691
CAS Number
1513879-19-0
Product Name Alternative
Inhibit, Inhibitor, KDU 691, KDU691, KDU-691, liver, Parasite, falciparum, gametocytes, blood, plasmodium, ring-stage, stage, schizonts, PI4 kinases, PI4K, Phosphatidylinositol 4 kinases
Field of Research
Infectious Disease & Virology, Signal Transduction
Purity
98.68% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:4 mg/mL (9.53 mM) ; DMSO:150 mg/mL (357.26 mM)
Smiles
CNC (=O) c1ccc (cc1) -c1cnc2cnc (cn12) C (=O) N (C) c1ccc (Cl) cc1
Molecular Formula
C22H18ClN5O2
Molecular Weight
419.86
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-(4-chlorophenyl)-N-methyl-3-[4-(methylcarbamoyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
CAS Number1513879-19-0
PubChem CID90157166
IUPAC NameN-(4-chlorophenyl)-N-methyl-3-[4-(methylcarbamoyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
Molecular FormulaC22H18ClN5O2
Molecular Weight419.9
XLogP3.6
Topological Polar Surface Area79.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity619
SMILES
CNC(=O)C1=CC=C(C=C1)C2=CN=C3N2C=C(N=C3)C(=O)N(C)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C22H18ClN5O2/c1-24-21(29)15-5-3-14(4-6-15)19-11-26-20-12-25-18(13-28(19)20)22(30)27(2)17-9-7-16(23)8-10-17/h3-13H,1-2H3,(H,24,29)
InChIKey
TYMFFISSODJRDV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(4-chlorophenyl)-N-methyl-3-[4-(methylcarbamoyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
CAS: 1513879-19-0
CID: 90157166
Formula: C22H18ClN5O2
MW: 419.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight419.9
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass419.1149025
Monoisotopic Mass419.1149025
Topological Polar Surface Area79.6 Ų
Heavy Atom Count30
Formal Charge0
Complexity619
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

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