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CE3F4

CAT: 0607-B4927-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-B4927-25Size:25 mg
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Description
Uncompetitive Epac1 inhibitor
CAS Number
143703-25-7
Product Name Alternative
5,7-dibromo-6-fluoro-2-methyl-3,4-dihydroquinoline-1(2H)-carbaldehyde
Field of Research
Cancer Biology Ras-like GTPases
Purity
0.98
Form
A crystalline solid
Solubility
Soluble in DMSO
Smiles
O=CN1C(C)CCC2=C(Br)C(F)=C(Br)C=C21
Molecular Formula
C11H10Br2FNO
Molecular Weight
351.01
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

6-Fluoro-5,7-dibromo-2-methyl-1-formyl-1,2,3,4-tetrahydroquinoline

an Epac1 inhibitor; structure in first source

CAS Number143703-25-7
PubChem CID21781066
IUPAC Name5,7-dibromo-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbaldehyde
Molecular FormulaC11H10Br2FNO
Molecular Weight351.01
XLogP3.6
Topological Polar Surface Area20.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count16
Formal Charge0
Complexity279
SMILES
CC1CCC2=C(C(=C(C=C2N1C=O)Br)F)Br
InChI
InChI=1S/C11H10Br2FNO/c1-6-2-3-7-9(15(6)5-16)4-8(12)11(14)10(7)13/h4-6H,2-3H2,1H3
InChIKey
ZZLQPWXVZCPUGC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Fluoro-5,7-dibromo-2-methyl-1-formyl-1,2,3,4-tetrahydroquinoline
CAS: 143703-25-7
CID: 21781066
Formula: C11H10Br2FNO
MW: 351.01
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight351.01
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass350.90927
Monoisotopic Mass348.91132
Topological Polar Surface Area20.3 Ų
Heavy Atom Count16
Formal Charge0
Complexity279
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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