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ER 50891

CAT: 0607-B7506-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-B7506-50Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
RARα receptor antagonist
CAS Number
187400-85-7
Product Name Alternative
4-(5-(8-isopropyl-4-phenylquinolin-2-yl)-1H-pyrrol-2-yl)benzoic acid
Field of Research
Others RARs
Form
Orange solid
Solubility
<43.25mg/ml in DMSO
Smiles
CC(C1=C2C(C(C3=CC=CC=C3)=CC(C4=CC=C(N4)C5=CC=C(C(O)=O)C=C5)=N2)=CC=C1)C
Molecular Formula
C29H24N2O2
Molecular Weight
432.51
Shipping Conditions
Blue ice
Storage Conditions
Store at RT.

Chemical Information

4-[5-(4-phenyl-8-propan-2-ylquinolin-2-yl)-1H-pyrrol-2-yl]benzoic acid
CAS Number187400-85-7
PubChem CID10094345
IUPAC Name4-[5-(4-phenyl-8-propan-2-ylquinolin-2-yl)-1H-pyrrol-2-yl]benzoic acid
Molecular FormulaC29H24N2O2
Molecular Weight432.5
XLogP6.6
Topological Polar Surface Area66
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity652
SMILES
CC(C)C1=CC=CC2=C1N=C(C=C2C3=CC=CC=C3)C4=CC=C(N4)C5=CC=C(C=C5)C(=O)O
InChI
InChI=1S/C29H24N2O2/c1-18(2)22-9-6-10-23-24(19-7-4-3-5-8-19)17-27(31-28(22)23)26-16-15-25(30-26)20-11-13-21(14-12-20)29(32)33/h3-18,30H,1-2H3,(H,32,33)
InChIKey
LSGNKLDHMQVTEK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-[5-(4-phenyl-8-propan-2-ylquinolin-2-yl)-1H-pyrrol-2-yl]benzoic acid
CAS: 187400-85-7
CID: 10094345
Formula: C29H24N2O2
MW: 432.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight432.5
XLogP36.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass432.183778013
Monoisotopic Mass432.183778013
Topological Polar Surface Area66 Ų
Heavy Atom Count33
Formal Charge0
Complexity652
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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