C448-1123 Screening compound: 1-{[1,4'-bipiperidine]-1'-carbonyl}-3-(4-methoxyphenyl)-5-methyl-3H,4H,5H-pyridazino[4,5-b]indol-4-one

C448-1123 Screening compound: 1-{[1,4'-bipiperidine]-1'-carbonyl}-3-(4-methoxyphenyl)-5-methyl-3H,4H,5H-pyridazino[4,5-b]indol-4-one
C448-1123 Screening compound: 1-{[1,4'-bipiperidine]-1'-carbonyl}-3-(4-methoxyphenyl)-5-methyl-3H,4H,5H-pyridazino[4,5-b]indol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C448-1123
1-{[1,4'-bipiperidine]-1'-carbonyl}-3-(4-methoxyphenyl)-5-methyl-3H,4H,5H-pyridazino[4,5-b]indol-4-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

C448-1123

Molecular Formula

C29H33N5O3 (C29 H33 N5 O3)

Compound Name

1-{[1,4'-bipiperidine]-1'-carbonyl}-3-(4-methoxyphenyl)-5-methyl-3H,4H,5H-pyridazino[4,5-b]indol-4-one

IUPAC name

1-{[14'-bipiperidine]-1'-carbonyl}-3-(4-methoxyphenyl)-5-methyl-3H4H5H-pyridazino[45-b]indol-4-one

SMILES

Cn(c1c2cccc1)c1c2C(C(N(CC2)CCC2N2CCCCC2)=O)=NN(c(cc2)ccc2OC)C1=O

InChI

InChI=1S/C29H33N5O3/c1-31-24-9-5-4-8-23(24)25-26(28(35)33-18-14-20(15-19-33)32-16-6-3-7-17-32)30-34(29(36)27(25)31)21-10-12-22(37-2)13-11-21/h4-5,8-13,20H,3,6-7,14-19H2,1-2H3

InChI Key

ATEFATZCMQXULH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14759085

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.701

Distribution Coefficient, logD

0.292

Water Solubility, LogSw

-4.22

Polar Surface Area

55.256

Acid Dissociation Constant (pKa)

28.06

Base Dissociation Constant (pKb)

10.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.40

C448-1123 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

DGK Inhibitors Library (10558 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Ion Channels
  • Phosphatases

References: we are preparing a list of scientific research reports with C448-1123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C448-1123?
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What is the minimum amount of C448-1123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C448-1123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C448-1123
  • 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 C448-1123 available by request