L815-0067 Screening compound: (2E)-3-(3,4-dimethoxyphenyl)-N-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]prop-2-enamide

L815-0067 Screening compound: (2E)-3-(3,4-dimethoxyphenyl)-N-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]prop-2-enamide
L815-0067 Screening compound: (2E)-3-(3,4-dimethoxyphenyl)-N-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L815-0067
(2E)-3-(3,4-dimethoxyphenyl)-N-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]prop-2-enamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

L815-0067

Molecular Formula

C22H24N2O4 (C22 H24 N2 O4)

Compound Name

(2E)-3-(3,4-dimethoxyphenyl)-N-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]prop-2-enamide

IUPAC name

(2E)-3-(34-dimethoxyphenyl)-N-[2-oxo-2-(1234-tetrahydroquinolin-1-yl)ethyl]prop-2-enamide

SMILES

COc(ccc(/C=C/C(NCC(N(CCC1)c2c1cccc2)=O)=O)c1)c1OC

InChI

InChI=1S/C22H24N2O4/c1-27-19-11-9-16(14-20(19)28-2)10-12-21(25)23-15-22(26)24-13-5-7-17-6-3-4-8-18(17)24/h3-4,6,8-12,14H,5,7,13,15H2,1-2H3,(H,23,25)

InChI Key

NXIXBRSIRHLJCN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27477104

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.138

Distribution Coefficient, logD

3.138

Water Solubility, LogSw

-3.39

Polar Surface Area

54.756

Acid Dissociation Constant (pKa)

12.65

Base Dissociation Constant (pKb)

-0.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

L815-0067 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

KRAS-Targeted Library (16000 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with L815-0067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L815-0067?
Check Price and Availability of L815-0067, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of L815-0067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L815-0067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L815-0067
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of L815-0067 available by request