C880-2709 Screening compound: 5-[(3-chlorophenyl)methyl]-3-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-3H,4H,5H-pyridazino[4,5-b]indol-4-one

C880-2709 Screening compound: 5-[(3-chlorophenyl)methyl]-3-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-3H,4H,5H-pyridazino[4,5-b]indol-4-one
C880-2709 Screening compound: 5-[(3-chlorophenyl)methyl]-3-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-3H,4H,5H-pyridazino[4,5-b]indol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C880-2709
5-[(3-chlorophenyl)methyl]-3-[2-oxo-2-(4-propylpiperazin-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

C880-2709

Molecular Formula

C26H28ClN5O2 (C26 H28 ClN5 O2)

Compound Name

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

IUPAC name

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

SMILES

CCCN(CC1)CCN1C(CN(C1=O)N=Cc2c1n(Cc1cccc(Cl)c1)c1c2cccc1)=O

InChI

InChI=1S/C26H28ClN5O2/c1-2-10-29-11-13-30(14-12-29)24(33)18-32-26(34)25-22(16-28-32)21-8-3-4-9-23(21)31(25)17-19-6-5-7-20(27)15-19/h3-9,15-16H,2,10-14,17-18H2,1H3

InChI Key

XFHZAXDGHMHZKW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14804299

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.99

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.507

Distribution Coefficient, logD

3.325

Water Solubility, LogSw

-3.70

Polar Surface Area

49.254

Acid Dissociation Constant (pKa)

19.13

Base Dissociation Constant (pKb)

7.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

C880-2709 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C880-2709 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C880-2709?
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What is the minimum amount of C880-2709 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C880-2709
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C880-2709
  • 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 C880-2709 available by request