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Dalcetrapib

CAT: 0931-T6048-04Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T6048-04Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
211513-37-0
Target
CETP
Related Pathways
Metabolism
Purity
>99.99%
Bioactivity
Dalcetrapib (RO4607381), a rhCETP inhibitor (IC50=0.2 μM), increases the plasma HDL cholesterol.
Smiles
CCC(CC)CC1(CCCCC1)C(=O)Nc1ccccc1SC(=O)C(C)C
Molecular Formula
C23H35NO2S
Molecular Weight
389.59
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Dalcetrapib

2-methylpropanethioic acid S-[2-[[[1-(2-ethylbutyl)cyclohexyl]-oxomethyl]amino]phenyl] ester is an anilide.

CAS Number211513-37-0
PubChem CID6918540
IUPAC NameS-[2-[[1-(2-ethylbutyl)cyclohexanecarbonyl]amino]phenyl] 2-methylpropanethioate
Molecular FormulaC23H35NO2S
Molecular Weight389.6
XLogP7.1
Topological Polar Surface Area71.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Heavy Atom Count27
Formal Charge0
Complexity481
SMILES
CCC(CC)CC1(CCCCC1)C(=O)NC2=CC=CC=C2SC(=O)C(C)C
InChI
InChI=1S/C23H35NO2S/c1-5-18(6-2)16-23(14-10-7-11-15-23)22(26)24-19-12-8-9-13-20(19)27-21(25)17(3)4/h8-9,12-13,17-18H,5-7,10-11,14-16H2,1-4H3,(H,24,26)
InChIKey
YZQLWPMZQVHJED-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dalcetrapib
CAS: 211513-37-0
CID: 6918540
Formula: C23H35NO2S
MW: 389.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight389.6
XLogP37.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Exact Mass389.23885053
Monoisotopic Mass389.23885053
Topological Polar Surface Area71.5 Ų
Heavy Atom Count27
Formal Charge0
Complexity481
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

Alternative Products

CatalogName
HY-14950-01Dalcetrapib
HY-14950R-01Dalcetrapib (Standard)
2532-1EZSolution ™ Dalcetrapib
S2772-100mgDalcetrapib (JTT-705)
SD7207-5mgDalcetrapib (CETP inhibitor)
MBS384967-01JTT-705 (Dalcetrapib)

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