C880-2816 Screening compound: 2-{5-[(3-chlorophenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-methylacetamide

C880-2816 Screening compound: 2-{5-[(3-chlorophenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-methylacetamide
C880-2816 Screening compound: 2-{5-[(3-chlorophenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C880-2816
2-{5-[(3-chlorophenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-methylacetamide

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

C880-2816

Molecular Formula

C20H17ClN4O2 (C20 H17 ClN4 O2)

Compound Name

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

IUPAC name

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

SMILES

CNC(CN(C1=O)N=Cc2c1n(Cc1cccc(Cl)c1)c1c2cccc1)=O

InChI

InChI=1S/C20H17ClN4O2/c1-22-18(26)12-25-20(27)19-16(10-23-25)15-7-2-3-8-17(15)24(19)11-13-5-4-6-14(21)9-13/h2-10H,11-12H2,1H3,(H,22,26)

InChI Key

IRJVEPUKKMPRAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14804336

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.83

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.592

Distribution Coefficient, logD

2.592

Water Solubility, LogSw

-3.51

Polar Surface Area

53.965

Acid Dissociation Constant (pKa)

15.73

Base Dissociation Constant (pKb)

0.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

C880-2816 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C880-2816 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C880-2816?
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What is the minimum amount of C880-2816 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C880-2816
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C880-2816
  • 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 C880-2816 available by request