C884-2604 Screening compound: 3-methyl-5-{4-oxo-4-[4-(pyridin-2-yl)piperazin-1-yl]butyl}-3H,4H,5H-pyridazino[4,5-b]indol-4-one

C884-2604 Screening compound: 3-methyl-5-{4-oxo-4-[4-(pyridin-2-yl)piperazin-1-yl]butyl}-3H,4H,5H-pyridazino[4,5-b]indol-4-one
C884-2604 Screening compound: 3-methyl-5-{4-oxo-4-[4-(pyridin-2-yl)piperazin-1-yl]butyl}-3H,4H,5H-pyridazino[4,5-b]indol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C884-2604
3-methyl-5-{4-oxo-4-[4-(pyridin-2-yl)piperazin-1-yl]butyl}-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

C884-2604

Molecular Formula

C24H26N6O2 (C24 H26 N6 O2)

Compound Name

3-methyl-5-{4-oxo-4-[4-(pyridin-2-yl)piperazin-1-yl]butyl}-3H,4H,5H-pyridazino[4,5-b]indol-4-one

IUPAC name

3-methyl-5-{4-oxo-4-[4-(pyridin-2-yl)piperazin-1-yl]butyl}-3H4H5H-pyridazino[45-b]indol-4-one

SMILES

CN(C1=O)N=Cc2c1n(CCCC(N(CC1)CCN1c1ncccc1)=O)c1c2cccc1

InChI

InChI=1S/C24H26N6O2/c1-27-24(32)23-19(17-26-27)18-7-2-3-8-20(18)30(23)12-6-10-22(31)29-15-13-28(14-16-29)21-9-4-5-11-25-21/h2-5,7-9,11,17H,6,10,12-16H2,1H3

InChI Key

KSRLXIPHWVNNMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26966902

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.058

Distribution Coefficient, logD

2.049

Water Solubility, LogSw

-2.19

Polar Surface Area

57.165

Acid Dissociation Constant (pKa)

22.47

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C884-2604 in Drug Discovery

Included in Screening Libraries

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

SmartTM Library (51161 compounds)

Akt-Targeted Library (14764 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C884-2604 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C884-2604?
Check Price and Availability of C884-2604, 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 C884-2604 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C884-2604
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C884-2604
  • 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 C884-2604 available by request