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IMDK

CAT: 1410-M28701-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M28701-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
IMDK quarterhydrate is a potent PI3K inhibitor that inhibits the growth factor MDK (also known as midkine or MK) . iMDK quarterhydrate synergistically inhibits non-small cell lung cancer (NSCLC) with MEK inhibitors without harming normal cells and mice.
CAS Number
881970-80-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
376.41
Molecular Formula
C21H13FN2O2S
Notes
Research use only, not for human use.
Receptor
TRPV1

Chemical Information

3-[2-(4-fluorobenzyl)imidazo[2,1-b][1,3]thiazol-6-yl]-2H-chromen-2-one
CAS Number881970-80-5
PubChem CID15991416
IUPAC Name3-[2-[(4-fluorophenyl)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]chromen-2-one
Molecular FormulaC21H13FN2O2S
Molecular Weight376.4
XLogP5.6
Topological Polar Surface Area71.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity607
SMILES
C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CN4C=C(SC4=N3)CC5=CC=C(C=C5)F
InChI
InChI=1S/C21H13FN2O2S/c22-15-7-5-13(6-8-15)9-16-11-24-12-18(23-21(24)27-16)17-10-14-3-1-2-4-19(14)26-20(17)25/h1-8,10-12H,9H2
InChIKey
IWFKQTWYILKFGE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-[2-(4-fluorobenzyl)imidazo[2,1-b][1,3]thiazol-6-yl]-2H-chromen-2-one
CAS: 881970-80-5
CID: 15991416
Formula: C21H13FN2O2S
MW: 376.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight376.4
XLogP35.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass376.06817700
Monoisotopic Mass376.06817700
Topological Polar Surface Area71.8 Ų
Heavy Atom Count27
Formal Charge0
Complexity607
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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CatalogName
M16886-01IMD-0354
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Alternative Products

CatalogName
5126/50iMDK
HY-110171A-01IMDK (quarterhydrate)
T61627-01IMDK quarterhydrate
217548Midkine Inhibitor, iMDK (MDK Expression Inhibitor, 3- (2- (4-Fluorobenzyl) imidazo[2,1-b]thiazol-6-yl) -2H-chromen-2-one, 3- (2- (4-Fluorobenzyl) imidazo[2,1-b][1,3]thiazol-6-yl) -2H-chromen-2-one)

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