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BRITE338733

CAT: 1568-C07045-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1568-C07045-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
503105-88-2
SKU
C07045-5mg
Target
ATPase
Applications
Transmembrane Transporters
Smiles
CCC1=CC=C (O1) C2=CC (=NC (=C2) NC3CC (NC (C3) (C) C) (C) C) C4=C (C=CC (=C4) C) O
Molecular Formula
C27H35N3O2
Additionnal Information
BRITE-338733 is a potent RecA (a DNA-dependent ATPase) inhibitor with IC50 of 4.7 μM.
Storage Conditions
3 years -20°C powder

Chemical Information

2-(4-(5-Ethylfuran-2-yl)-6-(2,2,6,6-tetramethylpiperidin-4-ylamino)pyridin-2-yl)-4-methylphenol
CAS Number503105-88-2
PubChem CID136295145
IUPAC Name2-[4-(5-ethylfuran-2-yl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-pyridinyl]-4-methylphenol
Molecular FormulaC27H35N3O2
Molecular Weight433.6
XLogP5.8
Topological Polar Surface Area70.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity608
SMILES
CCC1=CC=C(O1)C2=CC(=NC(=C2)NC3CC(NC(C3)(C)C)(C)C)C4=C(C=CC(=C4)C)O
InChI
InChI=1S/C27H35N3O2/c1-7-20-9-11-24(32-20)18-13-22(21-12-17(2)8-10-23(21)31)29-25(14-18)28-19-15-26(3,4)30-27(5,6)16-19/h8-14,19,30-31H,7,15-16H2,1-6H3,(H,28,29)
InChIKey
PKYYVDCUXJXUPN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-(5-Ethylfuran-2-yl)-6-(2,2,6,6-tetramethylpiperidin-4-ylamino)pyridin-2-yl)-4-methylphenol
CAS: 503105-88-2
CID: 136295145
Formula: C27H35N3O2
MW: 433.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight433.6
XLogP35.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass433.27292737
Monoisotopic Mass433.27292737
Topological Polar Surface Area70.3 Ų
Heavy Atom Count32
Formal Charge0
Complexity608
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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CatalogName
S0166-5mgBRITE338733

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