C884-0760 Screening compound: 2-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

C884-0760 Screening compound: 2-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
C884-0760 Screening compound: 2-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}-N-[2-(4-sulfamoylphenyl)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C884-0760
2-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

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

C884-0760

Molecular Formula

C22H23N5O4S (C22 H23 N5 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C(NCCc(cc1)ccc1S(N)(=O)=O)=O)n1c(C(N(C)N=C2)=O)c2c2c1cccc2

InChI

InChI=1S/C22H23N5O4S/c1-14(21(28)24-12-11-15-7-9-16(10-8-15)32(23,30)31)27-19-6-4-3-5-17(19)18-13-25-26(2)22(29)20(18)27/h3-10,13-14H,11-12H2,1-2H3,(H,24,28)(H2,23,30,31)/t14-/m0/s1

InChI Key

PAYJMRUPPBCXDQ-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD26966723

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.448

Distribution Coefficient, logD

0.447

Water Solubility, LogSw

-2.15

Polar Surface Area

104.847

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

3.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

C884-0760 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C884-0760 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C884-0760?
Check Price and Availability of C884-0760, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C884-0760 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C884-0760
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C884-0760
  • 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 C884-0760 available by request