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KI-7

CAT: 0013-GTR19156084-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19156084-05Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
KI-7 is an adenosine A2B receptor positive allosteric modulator.
CAS Number
1489263-00-4
Purity
>98% (HPLC)
Solubility
DMSO:240 mg/mL (677.20 mM; Need ultrasonic)
Smiles
O=C (C (Nc1ccccc1) =O) c1cn (Cc2ccccc2) c2c1cccc2
Molecular Formula
C23H18N2O2
Molecular Weight
354.4
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

N-Phenyl-2-(1-benzyl-1H-indole-3-yl)-2-oxoacetamide
CAS Number1489263-00-4
PubChem CID73350966
IUPAC Name2-(1-benzylindol-3-yl)-2-oxo-N-phenylacetamide
Molecular FormulaC23H18N2O2
Molecular Weight354.4
XLogP4.3
Topological Polar Surface Area51.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity522
SMILES
C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C(=O)C(=O)NC4=CC=CC=C4
InChI
InChI=1S/C23H18N2O2/c26-22(23(27)24-18-11-5-2-6-12-18)20-16-25(15-17-9-3-1-4-10-17)21-14-8-7-13-19(20)21/h1-14,16H,15H2,(H,24,27)
InChIKey
MQMGZFRIEZRHHJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Phenyl-2-(1-benzyl-1H-indole-3-yl)-2-oxoacetamide
CAS: 1489263-00-4
CID: 73350966
Formula: C23H18N2O2
MW: 354.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight354.4
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass354.136827821
Monoisotopic Mass354.136827821
Topological Polar Surface Area51.1 Ų
Heavy Atom Count27
Formal Charge0
Complexity522
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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