C168-0535 Screening compound: N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-6,7-dimethoxy-2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide

C168-0535 Screening compound: N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-6,7-dimethoxy-2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
C168-0535 Screening compound: N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-6,7-dimethoxy-2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C168-0535
N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-6,7-dimethoxy-2-(2-methylpropyl)-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

C168-0535

Molecular Formula

C29H37ClN4O4 (C29 H37 ClN4 O4)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C29H37ClN4O4/c1-20(2)18-34-19-25(23-16-26(37-3)27(38-4)17-24(23)29(34)36)28(35)31-9-6-10-32-11-13-33(14-12-32)22-8-5-7-21(30)15-22/h5,7-8,15-17,19-20H,6,9-14,18H2,1-4H3,(H,31,35)

InChI Key

TZZGAMRJRGBYHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14723791

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

541.09

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.794

Distribution Coefficient, logD

3.250

Water Solubility, LogSw

-4.25

Polar Surface Area

63.230

Acid Dissociation Constant (pKa)

13.12

Base Dissociation Constant (pKb)

7.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.80

References: we are preparing a list of scientific research reports with C168-0535 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C168-0535?
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What is the minimum amount of C168-0535 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C168-0535
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C168-0535
  • 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 C168-0535 available by request