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KF24345

CAT: 0931-T27728-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T27728-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
178750-21-5
Target
Others, TNF
Related Pathways
Apoptosis, Others
Bioactivity
KF24345 is an inhibitor of adenosine uptake.
Smiles
O(CC)C1=CC=2C(=NC(=NC2C=C1OCC)N3CCOCC3)N4CCC(CC4)N5C(=O)C=6C(N(C)C5=O)=CC=C(C)C6
Molecular Formula
C31H38N6O5
Molecular Weight
574.67
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

KF24345
CAS Number178750-21-5
PubChem CID9938824
IUPAC Name3-[1-(6,7-diethoxy-2-morpholin-4-ylquinazolin-4-yl)piperidin-4-yl]-1,6-dimethylquinazoline-2,4-dione
Molecular FormulaC31H38N6O5
Molecular Weight574.7
XLogP4.3
Topological Polar Surface Area101
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count42
Formal Charge0
Complexity943
SMILES
CCOC1=C(C=C2C(=C1)C(=NC(=N2)N3CCOCC3)N4CCC(CC4)N5C(=O)C6=C(C=CC(=C6)C)N(C5=O)C)OCC
InChI
InChI=1S/C31H38N6O5/c1-5-41-26-18-22-24(19-27(26)42-6-2)32-30(36-13-15-40-16-14-36)33-28(22)35-11-9-21(10-12-35)37-29(38)23-17-20(3)7-8-25(23)34(4)31(37)39/h7-8,17-19,21H,5-6,9-16H2,1-4H3
InChIKey
MXOWYPVUVPQDNZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of KF24345
CAS: 178750-21-5
CID: 9938824
Formula: C31H38N6O5
MW: 574.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight574.7
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass574.29036833
Monoisotopic Mass574.29036833
Topological Polar Surface Area101 Ų
Heavy Atom Count42
Formal Charge0
Complexity943
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
GTR19197364-01KF24345
HY-117569KF24345 (free base)

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