C216-0033 Screening compound: 4-(4-bromophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroquinolin-2-one

C216-0033 Screening compound: 4-(4-bromophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroquinolin-2-one
C216-0033 Screening compound: 4-(4-bromophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroquinolin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C216-0033
4-(4-bromophenyl)-6,7-dimethoxy-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

C216-0033

Molecular Formula

C17H16BrNO3 (C17 H16 BrNO3)

Compound Name

4-(4-bromophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroquinolin-2-one

IUPAC name

4-(4-bromophenyl)-67-dimethoxy-1234-tetrahydroquinolin-2-one

SMILES

COc(c(OC)c1)cc(C(C2)c(cc3)ccc3Br)c1NC2=O

InChI

InChI=1S/C17H16BrNO3/c1-21-15-7-13-12(10-3-5-11(18)6-4-10)8-17(20)19-14(13)9-16(15)22-2/h3-7,9,12H,8H2,1-2H3,(H,19,20)/t12-/m0/s1

InChI Key

PXAQDHMMTFGHBZ-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD04226193

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.22

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.068

Distribution Coefficient, logD

3.068

Water Solubility, LogSw

-3.25

Polar Surface Area

40.048

Acid Dissociation Constant (pKa)

11.12

Base Dissociation Constant (pKb)

-0.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.50

C216-0033 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Antiviral Annotated Library (21441 compounds)

BRD4 Targeted Library (4534 compounds)

Cardiovascular Library (22201 compounds)

Dark Chemical Matter Library (18430 compounds)

Integrin Receptors Targeted library (1715 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Cardiovascular
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
  • Nervous system
Mechanism of action:
  • Epigenetic
Targets:
  • Others
  • Others
  • Ion Channels

References: we are preparing a list of scientific research reports with C216-0033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C216-0033?
Check Price and Availability of C216-0033, 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 C216-0033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C216-0033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C216-0033
  • 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 C216-0033 available by request