C884-2796 Screening compound: N-[3-(4-ethylpiperazin-1-yl)propyl]-4-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}butanamide

C884-2796 Screening compound: N-[3-(4-ethylpiperazin-1-yl)propyl]-4-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}butanamide
C884-2796 Screening compound: N-[3-(4-ethylpiperazin-1-yl)propyl]-4-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C884-2796
N-[3-(4-ethylpiperazin-1-yl)propyl]-4-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}butanamide

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

C884-2796

Molecular Formula

C24H34N6O2 (C24 H34 N6 O2)

Compound Name

N-[3-(4-ethylpiperazin-1-yl)propyl]-4-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}butanamide

IUPAC name

N-[3-(4-ethylpiperazin-1-yl)propyl]-4-{3-methyl-4-oxo-3H4H5H-pyridazino[45-b]indol-5-yl}butanamide

SMILES

CCN1CCN(CCCNC(CCCn2c(C(N(C)N=C3)=O)c3c3c2cccc3)=O)CC1

InChI

InChI=1S/C24H34N6O2/c1-3-28-14-16-29(17-15-28)12-7-11-25-22(31)10-6-13-30-21-9-5-4-8-19(21)20-18-26-27(2)24(32)23(20)30/h4-5,8-9,18H,3,6-7,10-17H2,1-2H3,(H,25,31)

InChI Key

BDNYMMBIIULKOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26966962

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.57

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

0.344

Distribution Coefficient, logD

-0.604

Water Solubility, LogSw

-1.88

Polar Surface Area

60.833

Acid Dissociation Constant (pKa)

14.57

Base Dissociation Constant (pKb)

8.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.20

C884-2796 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C884-2796 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C884-2796?
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What is the minimum amount of C884-2796 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C884-2796
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C884-2796
  • 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 C884-2796 available by request