C884-0325 Screening compound: 5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-methyl-3H,4H,5H-pyridazino[4,5-b]indol-4-one

C884-0325 Screening compound: 5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-methyl-3H,4H,5H-pyridazino[4,5-b]indol-4-one
C884-0325 Screening compound: 5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-methyl-3H,4H,5H-pyridazino[4,5-b]indol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C884-0325
5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-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

C884-0325

Molecular Formula

C25H26N4O2 (C25 H26 N4 O2)

Compound Name

5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-methyl-3H,4H,5H-pyridazino[4,5-b]indol-4-one

IUPAC name

5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-methyl-3H4H5H-pyridazino[45-b]indol-4-one

SMILES

CN(C1=O)N=Cc2c1n(CC(N1CCC(Cc3ccccc3)CC1)=O)c1c2cccc1

InChI

InChI=1S/C25H26N4O2/c1-27-25(31)24-21(16-26-27)20-9-5-6-10-22(20)29(24)17-23(30)28-13-11-19(12-14-28)15-18-7-3-2-4-8-18/h2-10,16,19H,11-15,17H2,1H3

InChI Key

OQNBSKCJFAWEML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26966557

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.618

Distribution Coefficient, logD

3.618

Water Solubility, LogSw

-3.72

Polar Surface Area

45.143

Acid Dissociation Constant (pKa)

21.56

Base Dissociation Constant (pKb)

3.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

C884-0325 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • GPCR
  • Proteases
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with C884-0325 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C884-0325?
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What is the minimum amount of C884-0325 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C884-0325
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C884-0325
  • 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 C884-0325 available by request