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BVT.13

CAT: 0931-T25193-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T25193-05Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
756813-87-3
Target
PPAR
Related Pathways
Metabolism, DNA Damage/DNA Repair
Purity
0.9859
Bioactivity
BVT.13 is an orally active and selective PPARγ agonist with maximal efficacy comparable to rosiglitazone, BVT.13 demonstrates antidiabetic activity in ob/ob mice, showing potential in metabolism research.
Smiles
O=C(O)C1=CC(OC2=NC=CC=N2)=CC=C1NC(=O)C3=CC=C(Cl)C=C3Cl
Molecular Formula
C18H11Cl2N3O4
Molecular Weight
404.2
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-[(2,4-Dichlorobenzoyl)amino]-5-(2-pyrimidinyloxy)-benzoic acid
CAS Number756813-87-3
PubChem CID5289162
IUPAC Name2-[(2,4-dichlorobenzoyl)amino]-5-pyrimidin-2-yloxybenzoic acid
Molecular FormulaC18H11Cl2N3O4
Molecular Weight404.2
XLogP4.2
Topological Polar Surface Area101
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity533
SMILES
C1=CN=C(N=C1)OC2=CC(=C(C=C2)NC(=O)C3=C(C=C(C=C3)Cl)Cl)C(=O)O
InChI
InChI=1S/C18H11Cl2N3O4/c19-10-2-4-12(14(20)8-10)16(24)23-15-5-3-11(9-13(15)17(25)26)27-18-21-6-1-7-22-18/h1-9H,(H,23,24)(H,25,26)
InChIKey
VNDRRWBKNSHALL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[(2,4-Dichlorobenzoyl)amino]-5-(2-pyrimidinyloxy)-benzoic acid
CAS: 756813-87-3
CID: 5289162
Formula: C18H11Cl2N3O4
MW: 404.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight404.2
XLogP34.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass403.0126612
Monoisotopic Mass403.0126612
Topological Polar Surface Area101 Ų
Heavy Atom Count27
Formal Charge0
Complexity533
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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