C880-2822 Screening compound: N-[2-(azepan-1-yl)ethyl]-2-{5-[(3-chlorophenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetamide

C880-2822 Screening compound: N-[2-(azepan-1-yl)ethyl]-2-{5-[(3-chlorophenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetamide
C880-2822 Screening compound: N-[2-(azepan-1-yl)ethyl]-2-{5-[(3-chlorophenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C880-2822
N-[2-(azepan-1-yl)ethyl]-2-{5-[(3-chlorophenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-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

C880-2822

Molecular Formula

C27H30ClN5O2 (C27 H30 ClN5 O2)

Compound Name

N-[2-(azepan-1-yl)ethyl]-2-{5-[(3-chlorophenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetamide

IUPAC name

N-[2-(azepan-1-yl)ethyl]-2-{5-[(3-chlorophenyl)methyl]-4-oxo-3H4H5H-pyridazino[45-b]indol-3-yl}acetamide

SMILES

O=C(CN(C1=O)N=Cc2c1n(Cc1cccc(Cl)c1)c1c2cccc1)NCCN1CCCCCC1

InChI

InChI=1S/C27H30ClN5O2/c28-21-9-7-8-20(16-21)18-32-24-11-4-3-10-22(24)23-17-30-33(27(35)26(23)32)19-25(34)29-12-15-31-13-5-1-2-6-14-31/h3-4,7-11,16-17H,1-2,5-6,12-15,18-19H2,(H,29,34)

InChI Key

PBSPKOHEJFIFNQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14804340

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.02

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.021

Distribution Coefficient, logD

2.536

Water Solubility, LogSw

-4.23

Polar Surface Area

57.698

Acid Dissociation Constant (pKa)

14.39

Base Dissociation Constant (pKb)

8.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

C880-2822 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with C880-2822 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C880-2822?
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What is the minimum amount of C880-2822 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C880-2822
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C880-2822
  • 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 C880-2822 available by request