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BRD7716

CAT: 0013-GTR19160355-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19160355-01Size:200 mg
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Description
BRD7116 competitively binds to bacterial DNA gyrase, with cell-non-autonomous anti-leukemia activity.
CAS Number
329059-55-4
Purity
>98% (HPLC)
Solubility
DMSO : ≥ 48 mg/mL; 96.65 mM
Smiles
CC1 (C) C (C (=O) Nc2ccc (cc2) S (=O) (=O) c2ccc (NC (=O) C3C (C) (C) C3 (C) C) cc2) C1 (C) C
Molecular Formula
C28H36N2O4S
Molecular Weight
496.66
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

2,2,3,3-tetramethyl-N-[4-[4-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]phenyl]sulfonylphenyl]cyclopropane-1-carboxamide

2,2,3,3-tetramethyl-N-[4-[4-[[oxo-(2,2,3,3-tetramethylcyclopropyl)methyl]amino]phenyl]sulfonylphenyl]-1-cyclopropanecarboxamide is an anilide.

CAS Number329059-55-4
PubChem CID981129
IUPAC Name2,2,3,3-tetramethyl-N-[4-[4-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]phenyl]sulfonylphenyl]cyclopropane-1-carboxamide
Molecular FormulaC28H36N2O4S
Molecular Weight496.7
XLogP5.3
Topological Polar Surface Area101
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count35
Formal Charge0
Complexity859
SMILES
CC1(C(C1(C)C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C4C(C4(C)C)(C)C)C
InChI
InChI=1S/C28H36N2O4S/c1-25(2)21(26(25,3)4)23(31)29-17-9-13-19(14-10-17)35(33,34)20-15-11-18(12-16-20)30-24(32)22-27(5,6)28(22,7)8/h9-16,21-22H,1-8H3,(H,29,31)(H,30,32)
InChIKey
UHXFWAHRAMUDLJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,2,3,3-tetramethyl-N-[4-[4-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]phenyl]sulfonylphenyl]cyclopropane-1-carboxamide
CAS: 329059-55-4
CID: 981129
Formula: C28H36N2O4S
MW: 496.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight496.7
XLogP35.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass496.23957881
Monoisotopic Mass496.23957881
Topological Polar Surface Area101 Ų
Heavy Atom Count35
Formal Charge0
Complexity859
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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