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NIH-12848

CAT: 0013-GTR19172150-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19172150-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
NIH-12848
CAS Number
959551-10-1
Product Name Alternative
Inhibit, Inhibitor, NIH 12848, NIH12848, NIH-12848, PI5P4Kγ
Field of Research
Signal Transduction
Purity
99.75% (May vary between batches)
Solubility
DMSO:55 mg/mL (142.71 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (5.19 mM)
Smiles
FC (F) (F) c1ccccc1-c1nc (NCc2cccs2) c2ccccc2n1
Molecular Formula
C20H14F3N3S
Molecular Weight
385.41
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-[(thiophen-2-yl)methyl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CAS Number959551-10-1
PubChem CID3235425
IUPAC NameN-(thiophen-2-ylmethyl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
Molecular FormulaC20H14F3N3S
Molecular Weight385.4
XLogP5.6
Topological Polar Surface Area66.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity490
SMILES
C1=CC=C(C(=C1)C2=NC3=CC=CC=C3C(=N2)NCC4=CC=CS4)C(F)(F)F
InChI
InChI=1S/C20H14F3N3S/c21-20(22,23)16-9-3-1-7-14(16)19-25-17-10-4-2-8-15(17)18(26-19)24-12-13-6-5-11-27-13/h1-11H,12H2,(H,24,25,26)
InChIKey
QBDAEJRHUCSSPR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[(thiophen-2-yl)methyl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CAS: 959551-10-1
CID: 3235425
Formula: C20H14F3N3S
MW: 385.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight385.4
XLogP35.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass385.08605312
Monoisotopic Mass385.08605312
Topological Polar Surface Area66.1 Ų
Heavy Atom Count27
Formal Charge0
Complexity490
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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530601NIH-12848
A20476-10NIH-12848 10mg
A20476-2NIH-12848 2mg
A20476-50NIH-12848 50mg
A20476-25NIH-12848 25mg
A20476-200NIH-12848 200mg
A20476-100NIH-12848 100mg
A20476-5NIH-12848 5mg

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