C168-0469 Screening compound: 6,7-dimethoxy-2-(2-methylpropyl)-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-1,2-dihydroisoquinolin-1-one

C168-0469 Screening compound: 6,7-dimethoxy-2-(2-methylpropyl)-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-1,2-dihydroisoquinolin-1-one
C168-0469 Screening compound: 6,7-dimethoxy-2-(2-methylpropyl)-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-1,2-dihydroisoquinolin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C168-0469
6,7-dimethoxy-2-(2-methylpropyl)-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-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

C168-0469

Molecular Formula

C26H30N4O6 (C26 H30 N4 O6)

Compound Name

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

IUPAC name

67-dimethoxy-2-(2-methylpropyl)-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-12-dihydroisoquinolin-1-one

SMILES

CC(C)CN(C=C(C(N(CC1)CCN1c(cc1)ccc1[N+]([O-])=O)=O)c(cc1OC)c2cc1OC)C2=O

InChI

InChI=1S/C26H30N4O6/c1-17(2)15-29-16-22(20-13-23(35-3)24(36-4)14-21(20)25(29)31)26(32)28-11-9-27(10-12-28)18-5-7-19(8-6-18)30(33)34/h5-8,13-14,16-17H,9-12,15H2,1-4H3

InChI Key

MQFNFSZCAIZJMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14723752

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.608

Distribution Coefficient, logD

3.608

Water Solubility, LogSw

-3.81

Polar Surface Area

85.023

Acid Dissociation Constant (pKa)

25.44

Base Dissociation Constant (pKb)

0.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

References: we are preparing a list of scientific research reports with C168-0469 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C168-0469?
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What is the minimum amount of C168-0469 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C168-0469
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C168-0469
  • 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 C168-0469 available by request