L162-0843 Screening compound: N~7~-butyl-1-[4-(2-furylcarbonyl)piperazino]-7-isoquinolinecarboxamide

L162-0843 Screening compound: N~7~-butyl-1-[4-(2-furylcarbonyl)piperazino]-7-isoquinolinecarboxamide
L162-0843 Screening compound: N~7~-butyl-1-[4-(2-furylcarbonyl)piperazino]-7-isoquinolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L162-0843
N~7~-butyl-1-[4-(2-furylcarbonyl)piperazino]-7-isoquinolinecarboxamide

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

L162-0843

Molecular Formula

C23H26N4O3 (C23 H26 N4 O3)

Compound Name

N~7~-butyl-1-[4-(2-furylcarbonyl)piperazino]-7-isoquinolinecarboxamide

IUPAC name

N-butyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]isoquinoline-7-carboxamide

SMILES

CCCCNC(c1cc2c(N(CC3)CCN3C(c3ccco3)=O)nccc2cc1)=O

InChI

InChI=1S/C23H26N4O3/c1-2-3-9-25-22(28)18-7-6-17-8-10-24-21(19(17)16-18)26-11-13-27(14-12-26)23(29)20-5-4-15-30-20/h4-8,10,15-16H,2-3,9,11-14H2,1H3,(H,25,28)

InChI Key

KSCCDEIELQSSRB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27235395

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.315

Distribution Coefficient, logD

3.294

Water Solubility, LogSw

-3.52

Polar Surface Area

61.961

Acid Dissociation Constant (pKa)

13.35

Base Dissociation Constant (pKb)

6.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.78

L162-0843 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L162-0843 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L162-0843?
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What is the minimum amount of L162-0843 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L162-0843
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L162-0843
  • 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 L162-0843 available by request