BI-1347 500mg

CAT: 0628-A18769-500Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0628-A18769-500Size:500 mg

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CAS Number

2163056-91-3

Chemical Information

BI-1347

CDK8 and CDK19 inhibitor

CAS Number	2163056-91-3
PubChem CID	132180482
IUPAC Name	2-[4-(4-isoquinolin-4-ylphenyl)pyrazol-1-yl]-N,N-dimethylacetamide
Molecular Formula	C22H20N4O
Molecular Weight	356.4
XLogP	3.3
Topological Polar Surface Area	51
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	27
Formal Charge	0
Complexity	503

SMILES

CN(C)C(=O)CN1C=C(C=N1)C2=CC=C(C=C2)C3=CN=CC4=CC=CC=C43

InChI

InChI=1S/C22H20N4O/c1-25(2)22(27)15-26-14-19(12-24-26)16-7-9-17(10-8-16)21-13-23-11-18-5-3-4-6-20(18)21/h3-14H,15H2,1-2H3

InChIKey

WULUGQONDYDNKY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2163056-91-3

CID: 132180482

Formula: C22H20N4O

MW: 356.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	356.4
XLogP3	3.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	356.16371127
Monoisotopic Mass	356.16371127
Topological Polar Surface Area	51 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	503
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
NLD05691-01	BI-1347
B7720-1	CEP 1347