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ND-011992

CAT: 0013-GTR19214523-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19214523-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ND-011992 is a reversible, selective quinazoline inhibitor targeting bacterial quinone reductases and quinol oxidases. It potently inhibits E. coli respiratory complex I, bo3 oxidase, and bd-type oxidases, with applications in studying bacterial respiration and tuberculosis pathogenesis in vitro.
CAS Number
2446880-46-0
Product Name Alternative
Bacterial, ND011992, ND-011992, ND 011992, MitochondrialMetabolism, Mitochondrial Metabolism
Field of Research
Infectious Disease & Virology, Metabolism Research
Purity
99.70% (May vary between batches)
Solubility
DMSO:60 mg/mL (157.34 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (5.24 mM)
Smiles
N (C=1C2=C (N=CN1) C=CC=C2) C3=CC=C (OC4=CC=C (C (F) (F) F) C=C4) C=C3
Molecular Formula
C21H14F3N3O
Molecular Weight
381.35
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-(4-(4-(Trifluoromethyl)phenoxy)phenyl)quinazolin-4-amine
CAS Number2446880-46-0
PubChem CID153618301
IUPAC NameN-[4-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine
Molecular FormulaC21H14F3N3O
Molecular Weight381.3
XLogP6.4
Topological Polar Surface Area47
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity488
SMILES
C1=CC=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)OC4=CC=C(C=C4)C(F)(F)F
InChI
InChI=1S/C21H14F3N3O/c22-21(23,24)14-5-9-16(10-6-14)28-17-11-7-15(8-12-17)27-20-18-3-1-2-4-19(18)25-13-26-20/h1-13H,(H,25,26,27)
InChIKey
CAIODVXPWNFDFE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(4-(4-(Trifluoromethyl)phenoxy)phenyl)quinazolin-4-amine
CAS: 2446880-46-0
CID: 153618301
Formula: C21H14F3N3O
MW: 381.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight381.3
XLogP36.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass381.10889656
Monoisotopic Mass381.10889656
Topological Polar Surface Area47 Ų
Heavy Atom Count28
Formal Charge0
Complexity488
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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