C884-0093 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2-{4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}acetamide

C884-0093 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2-{4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}acetamide
C884-0093 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2-{4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C884-0093
N-[2-(4-chlorophenyl)ethyl]-2-{4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}acetamide

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

C884-0093

Molecular Formula

C20H17ClN4O2 (C20 H17 ClN4 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(Cn1c(C(NN=C2)=O)c2c2c1cccc2)NCCc(cc1)ccc1Cl

InChI

InChI=1S/C20H17ClN4O2/c21-14-7-5-13(6-8-14)9-10-22-18(26)12-25-17-4-2-1-3-15(17)16-11-23-24-20(27)19(16)25/h1-8,11H,9-10,12H2,(H,22,26)(H,24,27)

InChI Key

UQGJIRJIHSZWDK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26966506

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.83

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.250

Distribution Coefficient, logD

3.250

Water Solubility, LogSw

-3.62

Polar Surface Area

63.394

Acid Dissociation Constant (pKa)

12.85

Base Dissociation Constant (pKb)

3.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

C884-0093 in Drug Discovery

Included in Screening Libraries

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

PI3K-Targeted Library (17255 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C884-0093 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C884-0093?
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What is the minimum amount of C884-0093 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C884-0093
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C884-0093
  • 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 C884-0093 available by request