C884-1596 Screening compound: N-[2-(1H-indol-3-yl)ethyl]-2-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}butanamide

C884-1596 Screening compound: N-[2-(1H-indol-3-yl)ethyl]-2-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}butanamide
C884-1596 Screening compound: N-[2-(1H-indol-3-yl)ethyl]-2-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C884-1596
N-[2-(1H-indol-3-yl)ethyl]-2-{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

C884-1596

Molecular Formula

C25H25N5O2 (C25 H25 N5 O2)

Compound Name

N-[2-(1H-indol-3-yl)ethyl]-2-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}butanamide

IUPAC name

N-[2-(1H-indol-3-yl)ethyl]-2-{3-methyl-4-oxo-3H4H5H-pyridazino[45-b]indol-5-yl}butanamide

SMILES

CCC(C(NCCc1c[nH]c2c1cccc2)=O)n1c(C(N(C)N=C2)=O)c2c2c1cccc2

InChI

InChI=1S/C25H25N5O2/c1-3-21(24(31)26-13-12-16-14-27-20-10-6-4-8-17(16)20)30-22-11-7-5-9-18(22)19-15-28-29(2)25(32)23(19)30/h4-11,14-15,21,27H,3,12-13H2,1-2H3,(H,26,31)/t21-/m0/s1

InChI Key

OAAFBKPJSKGHOT-NRFANRHFSA-N

MDL Number (MFCD)

MFCD26966853

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.196

Distribution Coefficient, logD

3.196

Water Solubility, LogSw

-3.14

Polar Surface Area

63.700

Acid Dissociation Constant (pKa)

13.81

Base Dissociation Constant (pKb)

3.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

C884-1596 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with C884-1596 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C884-1596?
Check Price and Availability of C884-1596, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C884-1596 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C884-1596
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C884-1596
  • 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 C884-1596 available by request