Samotolisib

CAT: 0926-LFC87406-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-LFC87406-01Size:50 mg

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

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CAS Number

1386874-06-1

MDL Number

MFCD28411368

Smiles

C[C@@H] (CN1C2=C3C=C (C=CC3=NC=C2N (C1=O) C) C4=CC (=CN=C4) C (C) (C) O) OC

Molecular Formula

C23H26N4O3

Molecular Weight

406.48 g/mol

Controlled

Chemical Information

Samotolisib

LY3023414 has been used in trials studying the treatment of Neoplasm, Solid Tumor, COLON CANCER, BREAST CANCER, and Advanced Cancer, among others.

CAS Number	1386874-06-1
PubChem CID	57519748
IUPAC Name	8-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]-1-[(2S)-2-methoxypropyl]-3-methylimidazo[4,5-c]quinolin-2-one
Molecular Formula	C23H26N4O3
Molecular Weight	406.5
XLogP	1.7
Topological Polar Surface Area	78.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	30
Formal Charge	0
Complexity	630

SMILES

C[C@@H](CN1C2=C3C=C(C=CC3=NC=C2N(C1=O)C)C4=CC(=CN=C4)C(C)(C)O)OC

InChI

InChI=1S/C23H26N4O3/c1-14(30-5)13-27-21-18-9-15(16-8-17(11-24-10-16)23(2,3)29)6-7-19(18)25-12-20(21)26(4)22(27)28/h6-12,14,29H,13H2,1-5H3/t14-/m0/s1

InChIKey

ACCFLVVUVBJNGT-AWEZNQCLSA-N

Chemical Structure

2D Structure

CAS: 1386874-06-1

CID: 57519748

Formula: C23H26N4O3

MW: 406.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	406.5
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	406.20049070
Monoisotopic Mass	406.20049070
Topological Polar Surface Area	78.8 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	630
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

Catalog	Name
GTR19167989-01	Samotolisib
C13343-5mg	Samotolisib (LY3023414)