C696-0739 Screening compound: 2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-[(pyridin-4-yl)methyl]-1,2-dihydrophthalazin-1-one

C696-0739 Screening compound: 2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-[(pyridin-4-yl)methyl]-1,2-dihydrophthalazin-1-one
C696-0739 Screening compound: 2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-[(pyridin-4-yl)methyl]-1,2-dihydrophthalazin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C696-0739
2-[2-(4-benzylpiperidin-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

C696-0739

Molecular Formula

C28H28N4O2 (C28 H28 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(CN1N=C(Cc2ccncc2)c(cccc2)c2C1=O)N1CCC(Cc2ccccc2)CC1

InChI

InChI=1S/C28H28N4O2/c33-27(31-16-12-23(13-17-31)18-21-6-2-1-3-7-21)20-32-28(34)25-9-5-4-8-24(25)26(30-32)19-22-10-14-29-15-11-22/h1-11,14-15,23H,12-13,16-20H2

InChI Key

BYHNSHKTZYKXGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14783510

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.362

Distribution Coefficient, logD

3.358

Water Solubility, LogSw

-3.59

Polar Surface Area

52.648

Acid Dissociation Constant (pKa)

18.30

Base Dissociation Constant (pKb)

5.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

C696-0739 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Targeted Diversity Library (40567 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C696-0739 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C696-0739?
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What is the minimum amount of C696-0739 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C696-0739
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C696-0739
  • 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 C696-0739 available by request