C880-2553 Screening compound: 5-[(4-chlorophenyl)methyl]-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3H,4H,5H-pyridazino[4,5-b]indol-4-one

C880-2553 Screening compound: 5-[(4-chlorophenyl)methyl]-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3H,4H,5H-pyridazino[4,5-b]indol-4-one
C880-2553 Screening compound: 5-[(4-chlorophenyl)methyl]-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3H,4H,5H-pyridazino[4,5-b]indol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C880-2553
5-[(4-chlorophenyl)methyl]-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-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

C880-2553

Molecular Formula

C23H21ClN4O2 (C23 H21 ClN4 O2)

Compound Name

5-[(4-chlorophenyl)methyl]-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3H,4H,5H-pyridazino[4,5-b]indol-4-one

IUPAC name

5-[(4-chlorophenyl)methyl]-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3H4H5H-pyridazino[45-b]indol-4-one

SMILES

O=C(CN(C1=O)N=Cc2c1n(Cc(cc1)ccc1Cl)c1c2cccc1)N1CCCC1

InChI

InChI=1S/C23H21ClN4O2/c24-17-9-7-16(8-10-17)14-27-20-6-2-1-5-18(20)19-13-25-28(23(30)22(19)27)15-21(29)26-11-3-4-12-26/h1-2,5-10,13H,3-4,11-12,14-15H2

InChI Key

YVIPYGSXSLPOJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14804259

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.9

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.597

Distribution Coefficient, logD

3.597

Water Solubility, LogSw

-3.73

Polar Surface Area

45.830

Acid Dissociation Constant (pKa)

19.13

Base Dissociation Constant (pKb)

0.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

C880-2553 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Epigenetic
Structure:
  • Mimetics
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic

References: we are preparing a list of scientific research reports with C880-2553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C880-2553?
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What is the minimum amount of C880-2553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C880-2553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C880-2553
  • 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 C880-2553 available by request