C880-2305 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{5-[(4-fluorophenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetamide

C880-2305 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{5-[(4-fluorophenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetamide
C880-2305 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{5-[(4-fluorophenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C880-2305
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{5-[(4-fluorophenyl)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

C880-2305

Molecular Formula

C27H27FN4O2 (C27 H27 FN4 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(CN(C1=O)N=Cc2c1n(Cc(cc1)ccc1F)c1c2cccc1)NCCC1=CCCCC1

InChI

InChI=1S/C27H27FN4O2/c28-21-12-10-20(11-13-21)17-31-24-9-5-4-8-22(24)23-16-30-32(27(34)26(23)31)18-25(33)29-15-14-19-6-2-1-3-7-19/h4-6,8-13,16H,1-3,7,14-15,17-18H2,(H,29,33)

InChI Key

WKUGORPURJMJNJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14804161

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.024

Distribution Coefficient, logD

4.024

Water Solubility, LogSw

-4.21

Polar Surface Area

53.577

Acid Dissociation Constant (pKa)

15.64

Base Dissociation Constant (pKb)

0.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

C880-2305 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C880-2305 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C880-2305?
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What is the minimum amount of C880-2305 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C880-2305
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C880-2305
  • 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 C880-2305 available by request