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GaMF1.39

CAT: 0013-GTR19235339-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19235339-02Size:50 mg
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Description
GaMF1.39 is a small-molecule inhibitor targeting the γ subunit of mycobacterial F-ATP synthase. It demonstrates potent antimycobacterial activity in vitro and shows synergistic effects when combined with electron transport chain inhibitors, making it a valuable tool for tuberculosis drug mechanism and combination therapy research.
CAS Number
2568607-82-7
Field of Research
Infectious Disease & Virology
Smiles
N (C=1C=C2C (NC (=N2) C3=CC=C (Cl) C=C3) =CC1) C=4N=C (NCC) C=C (C) N4
Molecular Formula
C20H19ClN6
Molecular Weight
378.86
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N2-[2-(4-chlorophenyl)-1H-benzimidazol-5-yl]-N4-ethyl-6-methyl-pyrimidine-2,4-diamine
CAS Number2568607-82-7
PubChem CID166071819
IUPAC Name2-N-[2-(4-chlorophenyl)-3H-benzimidazol-5-yl]-4-N-ethyl-6-methylpyrimidine-2,4-diamine
Molecular FormulaC20H19ClN6
Molecular Weight378.9
XLogP5
Topological Polar Surface Area78.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity471
SMILES
CCNC1=NC(=NC(=C1)C)NC2=CC3=C(C=C2)N=C(N3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C20H19ClN6/c1-3-22-18-10-12(2)23-20(27-18)24-15-8-9-16-17(11-15)26-19(25-16)13-4-6-14(21)7-5-13/h4-11H,3H2,1-2H3,(H,25,26)(H2,22,23,24,27)
InChIKey
DKJYWYHLAHWVCH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N2-[2-(4-chlorophenyl)-1H-benzimidazol-5-yl]-N4-ethyl-6-methyl-pyrimidine-2,4-diamine
CAS: 2568607-82-7
CID: 166071819
Formula: C20H19ClN6
MW: 378.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight378.9
XLogP35
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass378.1359723
Monoisotopic Mass378.1359723
Topological Polar Surface Area78.5 Ų
Heavy Atom Count27
Formal Charge0
Complexity471
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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