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T863

CAT: 0127-BUP04215-05Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP04215-05Size:100 mg
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CAS Number
701232-20-4
Synonyms
DGAT-3, DGAT-1 inhibitor
Purity
=98%
Smiles
CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1

Chemical Information

(4-(4-(4-Amino-7,7-dimethyl-7H-pyrimido(4,5-b)(1,4)oxazin-6-yl)phenyl)cyclohexyl)acetic acid
CAS Number701232-20-4
PubChem CID9865421
IUPAC Name2-[4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]acetic acid
Molecular FormulaC22H26N4O3
Molecular Weight394.5
XLogP3.7
Topological Polar Surface Area111
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity622
SMILES
CC1(C(=NC2=C(N=CN=C2O1)N)C3=CC=C(C=C3)C4CCC(CC4)CC(=O)O)C
InChI
InChI=1S/C22H26N4O3/c1-22(2)19(26-18-20(23)24-12-25-21(18)29-22)16-9-7-15(8-10-16)14-5-3-13(4-6-14)11-17(27)28/h7-10,12-14H,3-6,11H2,1-2H3,(H,27,28)(H2,23,24,25)
InChIKey
FUIYMYNYUHVDPT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (4-(4-(4-Amino-7,7-dimethyl-7H-pyrimido(4,5-b)(1,4)oxazin-6-yl)phenyl)cyclohexyl)acetic acid
CAS: 701232-20-4
CID: 9865421
Formula: C22H26N4O3
MW: 394.5
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight394.5
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass394.20049070
Monoisotopic Mass394.20049070
Topological Polar Surface Area111 Ų
Heavy Atom Count29
Formal Charge0
Complexity622
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-32219-01T863
A11386-100T863 100mg
A11386-1T863 1mg
A11386-50T863 50mg
A11386-25T863 25mg
A11386-10T863 10mg
A11386-5T863 5mg
A11386-2T863 2mg
C07147-5mgT863 (DGAT-3)
A11386-10mM-DT863 10mM * 1mL in DMSO

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