C884-2747 Screening compound: 4-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}-N-[2-(4-sulfamoylphenyl)ethyl]butanamide

C884-2747 Screening compound: 4-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
C884-2747 Screening compound: 4-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}-N-[2-(4-sulfamoylphenyl)ethyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C884-2747
4-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}-N-[2-(4-sulfamoylphenyl)ethyl]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

C884-2747

Molecular Formula

C23H25N5O4S (C23 H25 N5 O4 S)

Compound Name

4-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}-N-[2-(4-sulfamoylphenyl)ethyl]butanamide

IUPAC name

4-{3-methyl-4-oxo-3H4H5H-pyridazino[45-b]indol-5-yl}-N-[2-(4-sulfamoylphenyl)ethyl]butanamide

SMILES

CN(C1=O)N=Cc2c1n(CCCC(NCCc(cc1)ccc1S(N)(=O)=O)=O)c1c2cccc1

InChI

InChI=1S/C23H25N5O4S/c1-27-23(30)22-19(15-26-27)18-5-2-3-6-20(18)28(22)14-4-7-21(29)25-13-12-16-8-10-17(11-9-16)33(24,31)32/h2-3,5-6,8-11,15H,4,7,12-14H2,1H3,(H,25,29)(H2,24,31,32)

InChI Key

GMHONZNUDULTHZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26966952

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.185

Distribution Coefficient, logD

0.184

Water Solubility, LogSw

-2.12

Polar Surface Area

103.917

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

4.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

C884-2747 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C884-2747 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C884-2747?
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What is the minimum amount of C884-2747 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C884-2747
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C884-2747
  • 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 C884-2747 available by request