C884-0453 Screening compound: N-(1-benzylpiperidin-4-yl)-2-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}acetamide

C884-0453 Screening compound: N-(1-benzylpiperidin-4-yl)-2-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}acetamide
C884-0453 Screening compound: N-(1-benzylpiperidin-4-yl)-2-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C884-0453
N-(1-benzylpiperidin-4-yl)-2-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}acetamide

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

C884-0453

Molecular Formula

C25H27N5O2 (C25 H27 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

CN(C1=O)N=Cc2c1n(CC(NC1CCN(Cc3ccccc3)CC1)=O)c1c2cccc1

InChI

InChI=1S/C25H27N5O2/c1-28-25(32)24-21(15-26-28)20-9-5-6-10-22(20)30(24)17-23(31)27-19-11-13-29(14-12-19)16-18-7-3-2-4-8-18/h2-10,15,19H,11-14,16-17H2,1H3,(H,27,31)

InChI Key

LPZWNOGMKNERHY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26966607

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.400

Distribution Coefficient, logD

0.843

Water Solubility, LogSw

-2.53

Polar Surface Area

56.759

Acid Dissociation Constant (pKa)

16.09

Base Dissociation Constant (pKb)

8.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

C884-0453 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C884-0453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C884-0453?
Check Price and Availability of C884-0453, 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 C884-0453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C884-0453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C884-0453
  • 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 C884-0453 available by request