C168-0259 Screening compound: N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-2-ethyl-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carboxamide

C168-0259 Screening compound: N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-2-ethyl-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
C168-0259 Screening compound: N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-2-ethyl-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C168-0259
N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-2-ethyl-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carboxamide

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

C168-0259

Molecular Formula

C27H33ClN4O4 (C27 H33 ClN4 O4)

Compound Name

N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-2-ethyl-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carboxamide

IUPAC name

N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-2-ethyl-67-dimethoxy-1-oxo-12-dihydroisoquinoline-4-carboxamide

SMILES

CCN(C=C(C(NCCCN(CC1)CCN1c1cccc(Cl)c1)=O)c(cc1OC)c2cc1OC)C2=O

InChI

InChI=1S/C27H33ClN4O4/c1-4-31-18-23(21-16-24(35-2)25(36-3)17-22(21)27(31)34)26(33)29-9-6-10-30-11-13-32(14-12-30)20-8-5-7-19(28)15-20/h5,7-8,15-18H,4,6,9-14H2,1-3H3,(H,29,33)

InChI Key

JZBWDRNMJPRDNZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14723708

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

513.04

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.855

Distribution Coefficient, logD

2.311

Water Solubility, LogSw

-3.54

Polar Surface Area

62.955

Acid Dissociation Constant (pKa)

13.12

Base Dissociation Constant (pKb)

7.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

References: we are preparing a list of scientific research reports with C168-0259 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C168-0259?
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What is the minimum amount of C168-0259 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C168-0259
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C168-0259
  • 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 C168-0259 available by request