C884-2594 Screening compound: 3-methyl-5-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]-3H,4H,5H-pyridazino[4,5-b]indol-4-one

C884-2594 Screening compound: 3-methyl-5-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]-3H,4H,5H-pyridazino[4,5-b]indol-4-one
C884-2594 Screening compound: 3-methyl-5-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]-3H,4H,5H-pyridazino[4,5-b]indol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C884-2594
3-methyl-5-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]-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

C884-2594

Molecular Formula

C20H25N5O2 (C20 H25 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

CN(CC1)CCN1C(CCCn1c(C(N(C)N=C2)=O)c2c2c1cccc2)=O

InChI

InChI=1S/C20H25N5O2/c1-22-10-12-24(13-11-22)18(26)8-5-9-25-17-7-4-3-6-15(17)16-14-21-23(2)20(27)19(16)25/h3-4,6-7,14H,5,8-13H2,1-2H3

InChI Key

ZRMGYXJMSOZYBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26966896

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.573

Distribution Coefficient, logD

0.326

Water Solubility, LogSw

-1.44

Polar Surface Area

48.870

Acid Dissociation Constant (pKa)

22.47

Base Dissociation Constant (pKb)

7.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

C884-2594 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)

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
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C884-2594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C884-2594?
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What is the minimum amount of C884-2594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C884-2594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C884-2594
  • 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 C884-2594 available by request