C884-2398 Screening compound: N-[(4-methylphenyl)methyl]-4-{4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}butanamide

C884-2398 Screening compound: N-[(4-methylphenyl)methyl]-4-{4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}butanamide
C884-2398 Screening compound: N-[(4-methylphenyl)methyl]-4-{4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C884-2398
N-[(4-methylphenyl)methyl]-4-{4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}butanamide

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

C884-2398

Molecular Formula

C22H22N4O2 (C22 H22 N4 O2)

Compound Name

N-[(4-methylphenyl)methyl]-4-{4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}butanamide

IUPAC name

N-[(4-methylphenyl)methyl]-4-{4-oxo-3H4H5H-pyridazino[45-b]indol-5-yl}butanamide

SMILES

Cc1ccc(CNC(CCCn2c(C(NN=C3)=O)c3c3c2cccc3)=O)cc1

InChI

InChI=1S/C22H22N4O2/c1-15-8-10-16(11-9-15)13-23-20(27)7-4-12-26-19-6-3-2-5-17(19)18-14-24-25-22(28)21(18)26/h2-3,5-6,8-11,14H,4,7,12-13H2,1H3,(H,23,27)(H,25,28)

InChI Key

JRRKUTPXXLKRKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14805056

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.078

Distribution Coefficient, logD

3.078

Water Solubility, LogSw

-3.17

Polar Surface Area

63.531

Acid Dissociation Constant (pKa)

12.06

Base Dissociation Constant (pKb)

3.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

C884-2398 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with C884-2398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C884-2398?
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What is the minimum amount of C884-2398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C884-2398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C884-2398
  • 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 C884-2398 available by request