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CAT: 0607-BA8111-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0607-BA8111-50Size:50 mg

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

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CAS Number

1415834-63-7

Form

A solid

Molecular Formula

C20H15ClF2N2O2

Molecular Weight

388.80

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

N-(4-(4-chlorobenzyloxy)pyridin-2-yl)-2-(2,6-difluorophenyl)acetamide

a SHIP2 protein inhibitor; structure in first source

CAS Number	1415834-63-7
PubChem CID	71089297
IUPAC Name	N-[4-[(4-chlorophenyl)methoxy]-2-pyridinyl]-2-(2,6-difluorophenyl)acetamide
Molecular Formula	C20H15ClF2N2O2
Molecular Weight	388.8
XLogP	4.3
Topological Polar Surface Area	51.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	27
Formal Charge	0
Complexity	467

SMILES

C1=CC(=C(C(=C1)F)CC(=O)NC2=NC=CC(=C2)OCC3=CC=C(C=C3)Cl)F

InChI

InChI=1S/C20H15ClF2N2O2/c21-14-6-4-13(5-7-14)12-27-15-8-9-24-19(10-15)25-20(26)11-16-17(22)2-1-3-18(16)23/h1-10H,11-12H2,(H,24,25,26)

InChIKey

GISJHCLTIVIGLX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1415834-63-7

CID: 71089297

Formula: C20H15ClF2N2O2

MW: 388.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	388.8
XLogP3	4.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	388.0790117
Monoisotopic Mass	388.0790117
Topological Polar Surface Area	51.2 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	467
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
BA8787-1	CPD-1224
BA8787-5	CPD-1224