C276-0569 Screening compound: 4-(2-bromo-4,5-dimethoxyphenyl)-5,6,7-trimethoxy-1,2,3,4-tetrahydroquinolin-2-one

C276-0569 Screening compound: 4-(2-bromo-4,5-dimethoxyphenyl)-5,6,7-trimethoxy-1,2,3,4-tetrahydroquinolin-2-one
C276-0569 Screening compound: 4-(2-bromo-4,5-dimethoxyphenyl)-5,6,7-trimethoxy-1,2,3,4-tetrahydroquinolin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C276-0569
4-(2-bromo-4,5-dimethoxyphenyl)-5,6,7-trimethoxy-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

C276-0569

Molecular Formula

C20H22BrNO6 (C20 H22 BrNO6)

Compound Name

4-(2-bromo-4,5-dimethoxyphenyl)-5,6,7-trimethoxy-1,2,3,4-tetrahydroquinolin-2-one

IUPAC name

4-(2-bromo-45-dimethoxyphenyl)-567-trimethoxy-1234-tetrahydroquinolin-2-one

SMILES

COc(c(OC)c1)cc(C(CC(Nc2cc(OC)c3OC)=O)c2c3OC)c1Br

InChI

InChI=1S/C20H22BrNO6/c1-24-14-6-10(12(21)8-15(14)25-2)11-7-17(23)22-13-9-16(26-3)19(27-4)20(28-5)18(11)13/h6,8-9,11H,7H2,1-5H3,(H,22,23)/t11-/m0/s1

InChI Key

RYKZCUHCGNAYTE-NSHDSACASA-N

MDL Number (MFCD)

MFCD06754296

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.3

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.831

Distribution Coefficient, logD

2.830

Water Solubility, LogSw

-3.19

Polar Surface Area

63.113

Acid Dissociation Constant (pKa)

10.31

Base Dissociation Constant (pKb)

-0.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

C276-0569 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C276-0569 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C276-0569?
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What is the minimum amount of C276-0569 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C276-0569
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C276-0569
  • 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 C276-0569 available by request