Mcl1-IN-2 1mg

CAT: 0628-A18366-1Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0628-A18366-1Size:1 mg

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

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CAS Number

292057-76-2

Chemical Information

Mcl1-IN-2

CAS Number	292057-76-2
PubChem CID	3625042
IUPAC Name	7-[(pyridin-2-ylamino)-thiophen-2-ylmethyl]quinolin-8-ol
Molecular Formula	C19H15N3OS
Molecular Weight	333.4
XLogP	4
Topological Polar Surface Area	86.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	24
Formal Charge	0
Complexity	410

SMILES

C1=CC=NC(=C1)NC(C2=C(C3=C(C=CC=N3)C=C2)O)C4=CC=CS4

InChI

InChI=1S/C19H15N3OS/c23-19-14(9-8-13-5-3-11-21-17(13)19)18(15-6-4-12-24-15)22-16-7-1-2-10-20-16/h1-12,18,23H,(H,20,22)

InChIKey

ICJKSTJCIAGPIS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 292057-76-2

CID: 3625042

Formula: C19H15N3OS

MW: 333.4

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	333.4
XLogP3	4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	333.09358328
Monoisotopic Mass	333.09358328
Topological Polar Surface Area	86.3 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	410
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes