C884-2579 Screening compound: 5-{4-[4-(3-methoxyphenyl)piperazin-1-yl]-4-oxobutyl}-3-methyl-3H,4H,5H-pyridazino[4,5-b]indol-4-one

C884-2579 Screening compound: 5-{4-[4-(3-methoxyphenyl)piperazin-1-yl]-4-oxobutyl}-3-methyl-3H,4H,5H-pyridazino[4,5-b]indol-4-one
C884-2579 Screening compound: 5-{4-[4-(3-methoxyphenyl)piperazin-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 C884-2579
5-{4-[4-(3-methoxyphenyl)piperazin-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

C884-2579

Molecular Formula

C26H29N5O3 (C26 H29 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

CN(C1=O)N=Cc2c1n(CCCC(N(CC1)CCN1c1cc(OC)ccc1)=O)c1c2cccc1

InChI

InChI=1S/C26H29N5O3/c1-28-26(33)25-22(18-27-28)21-9-3-4-10-23(21)31(25)12-6-11-24(32)30-15-13-29(14-16-30)19-7-5-8-20(17-19)34-2/h3-5,7-10,17-18H,6,11-16H2,1-2H3

InChI Key

SEILRMUBLDZTLR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26966887

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.498

Distribution Coefficient, logD

2.498

Water Solubility, LogSw

-2.62

Polar Surface Area

56.197

Acid Dissociation Constant (pKa)

22.47

Base Dissociation Constant (pKb)

4.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

References: we are preparing a list of scientific research reports with C884-2579 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C884-2579 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C884-2579
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C884-2579
  • 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 C884-2579 available by request