CDK8-IN-4 25mg

CAT: 0628-A19820-25Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0628-A19820-25Size:25 mg

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

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CAS Number

1613638-82-6

Chemical Information

Cdk8-IN-4

CAS Number	1613638-82-6
PubChem CID	75202254
IUPAC Name	(2R)-2-[[5-(1H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol
Molecular Formula	C20H18N4O
Molecular Weight	330.4
XLogP	2.9
Topological Polar Surface Area	73.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	25
Formal Charge	0
Complexity	415

SMILES

C1=CC=C(C=C1)[C@H](CO)NC2=CN=CC(=C2)C3=CC4=C(C=C3)NN=C4

InChI

InChI=1S/C20H18N4O/c25-13-20(14-4-2-1-3-5-14)23-18-9-16(10-21-12-18)15-6-7-19-17(8-15)11-22-24-19/h1-12,20,23,25H,13H2,(H,22,24)/t20-/m0/s1

InChIKey

VFKCKMKPKIUZOF-FQEVSTJZSA-N

Chemical Structure

2D Structure

CAS: 1613638-82-6

CID: 75202254

Formula: C20H18N4O

MW: 330.4

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	330.4
XLogP3	2.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	330.14806121
Monoisotopic Mass	330.14806121
Topological Polar Surface Area	73.8 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	415
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes