DPA-714

CAT: 0926-INB23307-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-INB23307-01Size:25 mg

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

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CAS Number

958233-07-3

Smiles

CCN (CC) C (=O) CC1=C2N=C (C=C (N2N=C1C3=CC=C (C=C3) OCCF) C) C

Molecular Formula

C22H27FN4O2

Molecular Weight

398.5 g/mol

Controlled

Chemical Information

N,N-diethyl-2-(2-(4-(2-fluoroethoxy)phenyl)-5,7-dimethylpyrazolo(1,5-a)pyrimidin-3-yl)acetamide

a translocator protein-specific ligand; structure in first source

CAS Number	958233-07-3
PubChem CID	24895172
IUPAC Name	N,N-diethyl-2-[2-[4-(2-fluoroethoxy)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide
Molecular Formula	C22H27FN4O2
Molecular Weight	398.5
XLogP	3.2
Topological Polar Surface Area	59.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Heavy Atom Count	29
Formal Charge	0
Complexity	525

SMILES

CCN(CC)C(=O)CC1=C2N=C(C=C(N2N=C1C3=CC=C(C=C3)OCCF)C)C

InChI

InChI=1S/C22H27FN4O2/c1-5-26(6-2)20(28)14-19-21(17-7-9-18(10-8-17)29-12-11-23)25-27-16(4)13-15(3)24-22(19)27/h7-10,13H,5-6,11-12,14H2,1-4H3

InChIKey

FLZZFWBNYJNHMY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 958233-07-3

CID: 24895172

Formula: C22H27FN4O2

MW: 398.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	398.5
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Exact Mass	398.21180428
Monoisotopic Mass	398.21180428
Topological Polar Surface Area	59.7 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	525
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