PDK4-IN-1

CAT: 0607-BA2926-1Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0607-BA2926-1Size:1 mg

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

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CAS Number

2310262-10-1

Form

A solid

Molecular Formula

C22H19N3O2

Molecular Weight

357.41

Shipping Conditions

Blue ice

Storage Conditions

4°C, desiccated and protect from light.

Chemical Information

Pdk4-IN-1

CAS Number	2310262-10-1
PubChem CID	146026196
IUPAC Name	1-(1-piperidin-4-ylpyrazol-4-yl)anthracene-9,10-dione
Molecular Formula	C22H19N3O2
Molecular Weight	357.4
XLogP	2.8
Topological Polar Surface Area	64
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	27
Formal Charge	0
Complexity	588

SMILES

C1CNCCC1N2C=C(C=N2)C3=C4C(=CC=C3)C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C22H19N3O2/c26-21-17-4-1-2-5-18(17)22(27)20-16(6-3-7-19(20)21)14-12-24-25(13-14)15-8-10-23-11-9-15/h1-7,12-13,15,23H,8-11H2

InChIKey

RUCYSQLKCYBLDW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2310262-10-1

CID: 146026196

Formula: C22H19N3O2

MW: 357.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	357.4
XLogP3	2.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	357.147726857
Monoisotopic Mass	357.147726857
Topological Polar Surface Area	64 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	588
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