K813-0227 Screening compound: 6,7-dimethyl-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroquinolin-2-one

K813-0227 Screening compound: 6,7-dimethyl-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroquinolin-2-one
K813-0227 Screening compound: 6,7-dimethyl-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroquinolin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K813-0227
6,7-dimethyl-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroquinolin-2-one

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

K813-0227

Molecular Formula

C20H23NO4 (C20 H23 NO4)

Compound Name

6,7-dimethyl-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroquinolin-2-one

IUPAC name

67-dimethyl-4-(345-trimethoxyphenyl)-1234-tetrahydroquinolin-2-one

SMILES

Cc(c(C)c1)cc(C(C2)c(cc3OC)cc(OC)c3OC)c1NC2=O

InChI

InChI=1S/C20H23NO4/c1-11-6-15-14(10-19(22)21-16(15)7-12(11)2)13-8-17(23-3)20(25-5)18(9-13)24-4/h6-9,14H,10H2,1-5H3,(H,21,22)/t14-/m1/s1

InChI Key

YIHYGGVQWKBRDO-CQSZACIVSA-N

MDL Number (MFCD)

MFCD02375872

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.426

Distribution Coefficient, logD

3.426

Water Solubility, LogSw

-3.52

Polar Surface Area

47.766

Acid Dissociation Constant (pKa)

12.49

Base Dissociation Constant (pKb)

-0.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

K813-0227 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Cardiovascular Library (22201 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with K813-0227 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K813-0227?
Check Price and Availability of K813-0227, 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 K813-0227 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K813-0227
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K813-0227
  • 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 K813-0227 available by request