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CD235

CAT: 0013-GTR19206295-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19206295-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CD235 is a structural analog of the orally bioavailable BET bromodomain inhibitor CD161. This small molecule is used in biochemical and cellular research to study BET protein function, with applications in oncology and immunology explored in both in vitro and in vivo experimental models.
CAS Number
1627716-57-7
Field of Research
Epigenetics & Chromatin, Immunology & Inflammation
Smiles
O (C) C=1C=C2C3=C (N=C (C) N=C3NC2=CC1C=4C (C) =NOC4C) C=5C6=C (N=CC5) C=CC (F) =C6
Molecular Formula
C26H20FN5O2
Molecular Weight
453.47
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

9H-Pyrimido[4,5-b]indole, 7-(3,5-dimethyl-4-isoxazolyl)-4-(6-fluoro-4-quinolinyl)-6-methoxy-2-methyl-
CAS Number1627716-57-7
PubChem CID90395731
IUPAC Name4-[4-(6-fluoroquinolin-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
Molecular FormulaC26H20FN5O2
Molecular Weight453.5
XLogP5.3
Topological Polar Surface Area89.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count34
Formal Charge0
Complexity731
SMILES
CC1=C(C(=NO1)C)C2=C(C=C3C(=C2)NC4=NC(=NC(=C34)C5=C6C=C(C=CC6=NC=C5)F)C)OC
InChI
InChI=1S/C26H20FN5O2/c1-12-23(13(2)34-32-12)19-10-21-18(11-22(19)33-4)24-25(29-14(3)30-26(24)31-21)16-7-8-28-20-6-5-15(27)9-17(16)20/h5-11H,1-4H3,(H,29,30,31)
InChIKey
VPVRJBDAKQJNHC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 9H-Pyrimido[4,5-b]indole, 7-(3,5-dimethyl-4-isoxazolyl)-4-(6-fluoro-4-quinolinyl)-6-methoxy-2-methyl-
CAS: 1627716-57-7
CID: 90395731
Formula: C26H20FN5O2
MW: 453.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight453.5
XLogP35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass453.16010306
Monoisotopic Mass453.16010306
Topological Polar Surface Area89.7 Ų
Heavy Atom Count34
Formal Charge0
Complexity731
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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