Products for Research Use Only
RegisterLogin

OTS514

CAT: 0013-GTR19153698-03Size: 1 gDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19153698-03Size:1 g
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
OTS-514 is a novel TOPK (PDZ binding kinase; PBK) inhibitor. IC50:2.6nM
CAS Number
1338540-63-8
Smiles
Cl[H].S1C ([H]) =C ([H]) C2=C1C (N ([H]) C1C (C ([H]) ([H]) [H]) =C ([H]) C (=C (C3C ([H]) =C ([H]) C (=C ([H]) C=3[H]) [C@@] ([H]) (C ([H]) ([H]) [H]) C ([H]) ([H]) N ([H]) [H]) C=12) O[H]) =O
Molecular Formula
C21H21CLN2O2S
Molecular Weight
400.9216
Notes
For research use only.

Chemical Information

(R)-9-(4-(1-aminopropan-2-yl)phenyl)-8-hydroxy-6-methylthieno[2,3-c]quinolin-4(5H)-one
CAS Number1338540-63-8
PubChem CID67448836
IUPAC Name9-[4-[(2R)-1-aminopropan-2-yl]phenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one
Molecular FormulaC21H20N2O2S
Molecular Weight364.5
XLogP3.8
Topological Polar Surface Area104
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity522
SMILES
CC1=CC(=C(C2=C1NC(=O)C3=C2C=CS3)C4=CC=C(C=C4)[C@@H](C)CN)O
InChI
InChI=1S/C21H20N2O2S/c1-11-9-16(24)17(14-5-3-13(4-6-14)12(2)10-22)18-15-7-8-26-20(15)21(25)23-19(11)18/h3-9,12,24H,10,22H2,1-2H3,(H,23,25)/t12-/m0/s1
InChIKey
OETLNMOJNONWOY-LBPRGKRZSA-N
Chemical Structure
2D Structure
2D structure of (R)-9-(4-(1-aminopropan-2-yl)phenyl)-8-hydroxy-6-methylthieno[2,3-c]quinolin-4(5H)-one
CAS: 1338540-63-8
CID: 67448836
Formula: C21H20N2O2S
MW: 364.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight364.5
XLogP33.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass364.12454906
Monoisotopic Mass364.12454906
Topological Polar Surface Area104 Ų
Heavy Atom Count26
Formal Charge0
Complexity522
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19186722-01OTS964
GTR19169094-01OTS964 hydrochloride

Alternative Products

CatalogName
A9501-25OTS514
HY-18621B(S) -OTS514
A16023-2OTS514 2mg
C12847-01OTS514 hydrochloride
A16023-100OTS514 100mg
A16023-50OTS514 50mg

Popular Products