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MK-0591

CAT: 1410-M11514-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M11514-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
A potent, specific and orally active 5-Lipoxygenase-activating protein (FLAP) inhibitor with IC50 of 1.6 nM in FLAP binding assay.
CAS Number
136668-42-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
587.1713
Molecular Formula
C34H35ClN2O3S
Notes
Research use only, not for human use.
Receptor
FLAP

Chemical Information

Quiflapon

Quiflapon is a small molecule drug. The usage of the INN stem '-flapon' in the name indicates that Quiflapon is a 5-lipoxygenase-activating protein (FLAP) inhibitor. Quiflapon has a monoisotopic molecular weight of 586.21 Da.

CAS Number136668-42-3
PubChem CID60923
IUPAC Name3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethylpropanoic acid
Molecular FormulaC34H35ClN2O3S
Molecular Weight587.2
XLogP8.2
Topological Polar Surface Area89.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Heavy Atom Count41
Formal Charge0
Complexity873
SMILES
CC(C)(C)SC1=C(N(C2=C1C=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)CC5=CC=C(C=C5)Cl)CC(C)(C)C(=O)O
InChI
InChI=1S/C34H35ClN2O3S/c1-33(2,3)41-31-27-18-26(40-21-25-15-12-23-8-6-7-9-28(23)36-25)16-17-29(27)37(20-22-10-13-24(35)14-11-22)30(31)19-34(4,5)32(38)39/h6-18H,19-21H2,1-5H3,(H,38,39)
InChIKey
NZOONKHCNQFYCI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Quiflapon
CAS: 136668-42-3
CID: 60923
Formula: C34H35ClN2O3S
MW: 587.2
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight587.2
XLogP38.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass586.2056919
Monoisotopic Mass586.2056919
Topological Polar Surface Area89.7 Ų
Heavy Atom Count41
Formal Charge0
Complexity873
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