C880-2172 Screening compound: ethyl 4-(2-{5-[(4-fluorophenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetyl)piperazine-1-carboxylate

C880-2172 Screening compound: ethyl 4-(2-{5-[(4-fluorophenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetyl)piperazine-1-carboxylate
C880-2172 Screening compound: ethyl 4-(2-{5-[(4-fluorophenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetyl)piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C880-2172
ethyl 4-(2-{5-[(4-fluorophenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetyl)piperazine-1-carboxylate

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

C880-2172

Molecular Formula

C26H26FN5O4 (C26 H26 FN5 O4)

Compound Name

ethyl 4-(2-{5-[(4-fluorophenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetyl)piperazine-1-carboxylate

IUPAC name

ethyl 4-(2-{5-[(4-fluorophenyl)methyl]-4-oxo-3H4H5H-pyridazino[45-b]indol-3-yl}acetyl)piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(CN(C1=O)N=Cc2c1n(Cc(cc1)ccc1F)c1c2cccc1)=O)=O

InChI

InChI=1S/C26H26FN5O4/c1-2-36-26(35)30-13-11-29(12-14-30)23(33)17-32-25(34)24-21(15-28-32)20-5-3-4-6-22(20)31(24)16-18-7-9-19(27)10-8-18/h3-10,15H,2,11-14,16-17H2,1H3

InChI Key

RHFLEUHMXYTJCA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14804104

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.788

Distribution Coefficient, logD

2.788

Water Solubility, LogSw

-2.80

Polar Surface Area

68.244

Acid Dissociation Constant (pKa)

19.13

Base Dissociation Constant (pKb)

0.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

C880-2172 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Annotated Library (21441 compounds)

Antiviral Library (67538 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C880-2172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C880-2172?
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What is the minimum amount of C880-2172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C880-2172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C880-2172
  • 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 C880-2172 available by request