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Mtb-IN-2

CAT: 1410-M37211-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1410-M37211-06Size:100 mg
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Description
Mtb-IN-2 is a small molecule compound of Mycobacterium tuberculosis (Mtb) with antimicrobial activity and low toxicity that interferes with methionine metabolism processes and can be used to study tuberculosis.
CAS Number
2861190-30-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
308.29
Molecular Formula
C17H12N2O4
Notes
Research use only, not for human use.
Receptor
Antibiotic

Chemical Information

Mtb-IN-2
CAS Number2861190-30-7
PubChem CID168459170
IUPAC Name2-hydroxy-4-(quinoline-2-carbonylamino)benzoic acid
Molecular FormulaC17H12N2O4
Molecular Weight308.29
XLogP3.1
Topological Polar Surface Area99.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity456
SMILES
C1=CC=C2C(=C1)C=CC(=N2)C(=O)NC3=CC(=C(C=C3)C(=O)O)O
InChI
InChI=1S/C17H12N2O4/c20-15-9-11(6-7-12(15)17(22)23)18-16(21)14-8-5-10-3-1-2-4-13(10)19-14/h1-9,20H,(H,18,21)(H,22,23)
InChIKey
WOVBYNARRLCBNS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mtb-IN-2
CAS: 2861190-30-7
CID: 168459170
Formula: C17H12N2O4
MW: 308.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight308.29
XLogP33.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass308.07970687
Monoisotopic Mass308.07970687
Topological Polar Surface Area99.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity456
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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