Products for Research Use Only
RegisterLogin

Dalcetrapib (JTT-705, RO4607381)

CAT: 0607-A4376-10Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0607-A4376-10Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
rhCETP inhibitor
CAS Number
211513-37-0
Product Name Alternative
S-[2-[[1-(2-ethylbutyl)cyclohexanecarbonyl]amino]phenyl] 2-methylpropanethioate
Field of Research
Metabolism CETP
Purity
0.98
Form
A solid
Solubility
insoluble in H2O; ≥12.7 mg/mL in DMSO; ≥80.2 mg/mL in EtOH
Smiles
CCC(CC)CC1(CCCCC1)C(=O)NC2=CC=CC=C2SC(=O)C(C)C
Molecular Formula
C23H35NO2S
Molecular Weight
389.59
Shipping Conditions
Blue ice
Storage Conditions
Store at -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

Related Products

CatalogName
B1114-5.1T 705
B1114-25T 705
B1114-5T 705
C3129-25R-7050
C3129-5R-7050
C3129-10R-7050

Alternative Products

CatalogName
MBS578623Dalcetrapib (JTT-705, RO4607381)
C08845-5mgDalcetrapib (JTT-705)
MBS384967-01JTT-705 (Dalcetrapib)
A11213-100JTT-705 (Dalcetrapib) 100mg
A11213-250JTT-705 (Dalcetrapib) 250mg
A11213-2JTT-705 (Dalcetrapib) 2mg
A11213-10mM-DJTT-705 (Dalcetrapib) 10mM * 1mL in DMSO
MBS131757-01JTT-705
A11213-50JTT-705 50mg
A11213-10JTT-705 10mg

Popular Products