C884-0339 Screening compound: 5-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-3-methyl-3H,4H,5H-pyridazino[4,5-b]indol-4-one

C884-0339 Screening compound: 5-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-3-methyl-3H,4H,5H-pyridazino[4,5-b]indol-4-one
C884-0339 Screening compound: 5-{2-[4-(4-methoxyphenyl)piperazin-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 C884-0339
5-{2-[4-(4-methoxyphenyl)piperazin-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

C884-0339

Molecular Formula

C24H25N5O3 (C24 H25 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

CN(C1=O)N=Cc2c1n(CC(N(CC1)CCN1c(cc1)ccc1OC)=O)c1c2cccc1

InChI

InChI=1S/C24H25N5O3/c1-26-24(31)23-20(15-25-26)19-5-3-4-6-21(19)29(23)16-22(30)28-13-11-27(12-14-28)17-7-9-18(32-2)10-8-17/h3-10,15H,11-14,16H2,1-2H3

InChI Key

YOPCXAMLLARKGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26966567

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.386

Distribution Coefficient, logD

2.386

Water Solubility, LogSw

-2.44

Polar Surface Area

56.219

Acid Dissociation Constant (pKa)

21.56

Base Dissociation Constant (pKb)

7.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

C884-0339 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C884-0339 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C884-0339?
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What is the minimum amount of C884-0339 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C884-0339
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C884-0339
  • 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 C884-0339 available by request