C696-0726 Screening compound: 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-[(pyridin-4-yl)methyl]-1,2-dihydrophthalazin-1-one

C696-0726 Screening compound: 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-[(pyridin-4-yl)methyl]-1,2-dihydrophthalazin-1-one
C696-0726 Screening compound: 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-[(pyridin-4-yl)methyl]-1,2-dihydrophthalazin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C696-0726
2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-[(pyridin-4-yl)methyl]-1,2-dihydrophthalazin-1-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

C696-0726

Molecular Formula

C21H23N5O2 (C21 H23 N5 O2)

Compound Name

2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-[(pyridin-4-yl)methyl]-1,2-dihydrophthalazin-1-one

IUPAC name

2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-[(pyridin-4-yl)methyl]-12-dihydrophthalazin-1-one

SMILES

CN(CC1)CCN1C(CN1N=C(Cc2ccncc2)c(cccc2)c2C1=O)=O

InChI

InChI=1S/C21H23N5O2/c1-24-10-12-25(13-11-24)20(27)15-26-21(28)18-5-3-2-4-17(18)19(23-26)14-16-6-8-22-9-7-16/h2-9H,10-15H2,1H3

InChI Key

FFDTWAYASZBJKT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14783502

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.209

Distribution Coefficient, logD

0.078

Water Solubility, LogSw

-1.59

Polar Surface Area

56.396

Acid Dissociation Constant (pKa)

18.30

Base Dissociation Constant (pKb)

6.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C696-0726 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Epigenetics Focused Set (26518 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Ion Channels

References: we are preparing a list of scientific research reports with C696-0726 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C696-0726?
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What is the minimum amount of C696-0726 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C696-0726
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C696-0726
  • 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 C696-0726 available by request