PF-4989216 200mg

CAT: 0628-A12889-200Size: 200 mgDry Ice: NoHazardous: No

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CAT#:0628-A12889-200Size:200 mg

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

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CAS Number

1276553-09-3

Chemical Information

PF-4989216

inhibits phosphatidylinositol 3-kinase; structure in first source

CAS Number	1276553-09-3
PubChem CID	51033720
IUPAC Name	4-(4-cyano-2-fluorophenyl)-2-morpholin-4-yl-5-(1H-1,2,4-triazol-5-yl)thiophene-3-carbonitrile
Molecular Formula	C18H13FN6OS
Molecular Weight	380.4
XLogP	2.6
Topological Polar Surface Area	130
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	3
Heavy Atom Count	27
Formal Charge	0
Complexity	628

SMILES

C1COCCN1C2=C(C(=C(S2)C3=NC=NN3)C4=C(C=C(C=C4)C#N)F)C#N

InChI

InChI=1S/C18H13FN6OS/c19-14-7-11(8-20)1-2-12(14)15-13(9-21)18(25-3-5-26-6-4-25)27-16(15)17-22-10-23-24-17/h1-2,7,10H,3-6H2,(H,22,23,24)

InChIKey

MUENOTXSRZEFJV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1276553-09-3

CID: 51033720

Formula: C18H13FN6OS

MW: 380.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	380.4
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	3
Exact Mass	380.08555840
Monoisotopic Mass	380.08555840
Topological Polar Surface Area	130 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	628
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
B5948-100	PF-4989216
MBS579460	PF-03084014 (PF-3084014)
00527-20151	Welchrom Carb/NH2, 200mg/200mg/6mL, 30pcs/pk
00569-11151	Welchrom SAX/PSA, 200mg/200mg, 6mL, 30pcs/pk