C884-2585 Screening compound: 5-[4-(4-cyclohexylpiperazin-1-yl)-4-oxobutyl]-3-methyl-3H,4H,5H-pyridazino[4,5-b]indol-4-one

C884-2585 Screening compound: 5-[4-(4-cyclohexylpiperazin-1-yl)-4-oxobutyl]-3-methyl-3H,4H,5H-pyridazino[4,5-b]indol-4-one
C884-2585 Screening compound: 5-[4-(4-cyclohexylpiperazin-1-yl)-4-oxobutyl]-3-methyl-3H,4H,5H-pyridazino[4,5-b]indol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C884-2585
5-[4-(4-cyclohexylpiperazin-1-yl)-4-oxobutyl]-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

C884-2585

Molecular Formula

C25H33N5O2 (C25 H33 N5 O2)

Compound Name

5-[4-(4-cyclohexylpiperazin-1-yl)-4-oxobutyl]-3-methyl-3H,4H,5H-pyridazino[4,5-b]indol-4-one

IUPAC name

5-[4-(4-cyclohexylpiperazin-1-yl)-4-oxobutyl]-3-methyl-3H4H5H-pyridazino[45-b]indol-4-one

SMILES

CN(C1=O)N=Cc2c1n(CCCC(N(CC1)CCN1C1CCCCC1)=O)c1c2cccc1

InChI

InChI=1S/C25H33N5O2/c1-27-25(32)24-21(18-26-27)20-10-5-6-11-22(20)30(24)13-7-12-23(31)29-16-14-28(15-17-29)19-8-3-2-4-9-19/h5-6,10-11,18-19H,2-4,7-9,12-17H2,1H3

InChI Key

NAQVZMDATXPJCA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26966891

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.412

Distribution Coefficient, logD

2.114

Water Solubility, LogSw

-2.34

Polar Surface Area

48.487

Acid Dissociation Constant (pKa)

22.47

Base Dissociation Constant (pKb)

7.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.00

C884-2585 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS BBB Library (22607 compounds)

DGK Inhibitors Library (10558 compounds)

GPCR Targeted Library (31838 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C884-2585 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C884-2585?
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What is the minimum amount of C884-2585 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C884-2585
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C884-2585
  • 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 C884-2585 available by request