NIH-12848

CAT: 0607-BA8274-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0607-BA8274-10Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

959551-10-1

Form

A solid

Molecular Formula

C20H14F3N3S

Molecular Weight

385.41

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

N-[(thiophen-2-yl)methyl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine

CAS Number	959551-10-1
PubChem CID	3235425
IUPAC Name	N-(thiophen-2-ylmethyl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
Molecular Formula	C20H14F3N3S
Molecular Weight	385.4
XLogP	5.6
Topological Polar Surface Area	66.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Heavy Atom Count	27
Formal Charge	0
Complexity	490

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

CAS: 959551-10-1

CID: 3235425

Formula: C20H14F3N3S

MW: 385.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	385.4
XLogP3	5.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	385.08605312
Monoisotopic Mass	385.08605312
Topological Polar Surface Area	66.1 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	490
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
BC1017-1	NIH/3T3 Cells
F1833-5	Anti-Mesothelin Antibody (NIH patent anti-Mesothelin)
F1833-.1	Anti-Mesothelin Antibody (NIH patent anti-Mesothelin)
F1833-1	Anti-Mesothelin Antibody (NIH patent anti-Mesothelin)
F1833-50	Anti-Mesothelin Antibody (NIH patent anti-Mesothelin)
F1996-.1	Anti-GPC2/Glypican 2 Antibody (Nih Patent Anti-Glypican-2)
F1996-50	Anti-GPC2/Glypican 2 Antibody (Nih Patent Anti-Glypican-2)
F1996-5	Anti-GPC2/Glypican 2 Antibody (Nih Patent Anti-Glypican-2)
F1996-1	Anti-GPC2/Glypican 2 Antibody (Nih Patent Anti-Glypican-2)