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Dichlorophenyl-ABA

CAT: 0931-T15116-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T15116-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
18201-65-5
Target
Others
Related Pathways
Others
Bioactivity
Dichlorophenyl-ABA is a transthyretin (TTR) amyloid fibril formation inhibitor. It inhibits aggregate formation in more than 80% in TTR L55P-expressing cells.
Smiles
OC(=O)c1ccccc1Nc1cc(Cl)cc(Cl)c1
Molecular Formula
C13H9Cl2NO2
Molecular Weight
282.12
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-[(3,5-Dichlorophenyl)amino]benzoic acid
CAS Number18201-65-5
PubChem CID644279
IUPAC Name2-(3,5-dichloroanilino)benzoic acid
Molecular FormulaC13H9Cl2NO2
Molecular Weight282.12
XLogP6.2
Topological Polar Surface Area49.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity291
SMILES
C1=CC=C(C(=C1)C(=O)O)NC2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C13H9Cl2NO2/c14-8-5-9(15)7-10(6-8)16-12-4-2-1-3-11(12)13(17)18/h1-7,16H,(H,17,18)
InChIKey
FNGSQOJHNAYHAT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[(3,5-Dichlorophenyl)amino]benzoic acid
CAS: 18201-65-5
CID: 644279
Formula: C13H9Cl2NO2
MW: 282.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight282.12
XLogP36.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass281.0010339
Monoisotopic Mass281.0010339
Topological Polar Surface Area49.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity291
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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