C168-0236 Screening compound: 2-ethyl-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6,7-dimethoxy-1,2-dihydroisoquinolin-1-one

C168-0236 Screening compound: 2-ethyl-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6,7-dimethoxy-1,2-dihydroisoquinolin-1-one
C168-0236 Screening compound: 2-ethyl-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6,7-dimethoxy-1,2-dihydroisoquinolin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C168-0236
2-ethyl-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6,7-dimethoxy-1,2-dihydroisoquinolin-1-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

C168-0236

Molecular Formula

C24H26FN3O4 (C24 H26 FN3 O4)

Compound Name

2-ethyl-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6,7-dimethoxy-1,2-dihydroisoquinolin-1-one

IUPAC name

2-ethyl-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-67-dimethoxy-12-dihydroisoquinolin-1-one

SMILES

CCN(C=C(C(N(CC1)CCN1c(cc1)ccc1F)=O)c(cc1OC)c2cc1OC)C2=O

InChI

InChI=1S/C24H26FN3O4/c1-4-26-15-20(18-13-21(31-2)22(32-3)14-19(18)23(26)29)24(30)28-11-9-27(10-12-28)17-7-5-16(25)6-8-17/h5-8,13-15H,4,9-12H2,1-3H3

InChI Key

LBAGYGIFCDPAMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14723689

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.772

Distribution Coefficient, logD

2.772

Water Solubility, LogSw

-2.96

Polar Surface Area

51.366

Acid Dissociation Constant (pKa)

28.16

Base Dissociation Constant (pKb)

5.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C168-0236 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Angiogenesis library (14822 compounds)

BRD4 Targeted Library (4534 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
Therapeutical areas:
  • Cancer
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with C168-0236 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C168-0236?
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What is the minimum amount of C168-0236 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C168-0236
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C168-0236
  • 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 C168-0236 available by request