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BTB06584

CAT: 0013-GTR19162742-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19162742-01Size:500 mg
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Description
BTB06584 is a novel acetohydroxyacid synthase (AHAS) inhibitor, a promising drug target against Mycobacterium tuberculosis (MTB) . BTB06584 is an IF1-dependent, selective inhibitor of the mitochondrial F1 Fo-ATPase.
CAS Number
219793-45-0
Product Name Alternative
BTB
Purity
>98% (HPLC)
Solubility
DMSO: 84 mg/mL (201.04 mM)
Smiles
O=S (C1=CC (OC (C2=CC=C (Cl) C=C2) =O) =C ([N+] ([O-]) =O) C=C1) (C3=CC=CC=C3) =O
Molecular Formula
C19H12ClNO6S
Molecular Weight
417.82
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
2-nitro-5- (phenylsulfonyl) phenyl 4-chlorobenzoate

Chemical Information

2-Nitro-5-(phenylsulfonyl)phenyl 4-chlorobenzoate

inhibits F1F0-ATPase; structure in first source

CAS Number219793-45-0
PubChem CID2799764
IUPAC Name[5-(benzenesulfonyl)-2-nitrophenyl] 4-chlorobenzoate
Molecular FormulaC19H12ClNO6S
Molecular Weight417.8
XLogP4.6
Topological Polar Surface Area115
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity659
SMILES
C1=CC=C(C=C1)S(=O)(=O)C2=CC(=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H12ClNO6S/c20-14-8-6-13(7-9-14)19(22)27-18-12-16(10-11-17(18)21(23)24)28(25,26)15-4-2-1-3-5-15/h1-12H
InChIKey
WNDWKKPBLAKXMI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Nitro-5-(phenylsulfonyl)phenyl 4-chlorobenzoate
CAS: 219793-45-0
CID: 2799764
Formula: C19H12ClNO6S
MW: 417.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight417.8
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass417.0073860
Monoisotopic Mass417.0073860
Topological Polar Surface Area115 Ų
Heavy Atom Count28
Formal Charge0
Complexity659
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

Alternative Products

CatalogName
MBS384416-01BTB06584
A14308-2BTB06584 2mg
A14308-50BTB06584 50mg
A14308-1BTB06584 1mg
A14308-25BTB06584 25mg
A14308-5BTB06584 5mg
A14308-200BTB06584 200mg
A14308-100BTB06584 100mg
A14308-10BTB06584 10mg
MBS576368AHAS inhibitor BTB06584

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