C696-0835 Screening compound: N-(2,5-dimethylphenyl)-N-ethyl-2-{1-oxo-4-[(pyridin-4-yl)methyl]-1,2-dihydrophthalazin-2-yl}acetamide

C696-0835 Screening compound: N-(2,5-dimethylphenyl)-N-ethyl-2-{1-oxo-4-[(pyridin-4-yl)methyl]-1,2-dihydrophthalazin-2-yl}acetamide
C696-0835 Screening compound: N-(2,5-dimethylphenyl)-N-ethyl-2-{1-oxo-4-[(pyridin-4-yl)methyl]-1,2-dihydrophthalazin-2-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C696-0835
N-(2,5-dimethylphenyl)-N-ethyl-2-{1-oxo-4-[(pyridin-4-yl)methyl]-1,2-dihydrophthalazin-2-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

C696-0835

Molecular Formula

C26H26N4O2 (C26 H26 N4 O2)

Compound Name

N-(2,5-dimethylphenyl)-N-ethyl-2-{1-oxo-4-[(pyridin-4-yl)methyl]-1,2-dihydrophthalazin-2-yl}acetamide

IUPAC name

N-(25-dimethylphenyl)-N-ethyl-2-{1-oxo-4-[(pyridin-4-yl)methyl]-12-dihydrophthalazin-2-yl}acetamide

SMILES

CCN(C(CN1N=C(Cc2ccncc2)c(cccc2)c2C1=O)=O)c1c(C)ccc(C)c1

InChI

InChI=1S/C26H26N4O2/c1-4-29(24-15-18(2)9-10-19(24)3)25(31)17-30-26(32)22-8-6-5-7-21(22)23(28-30)16-20-11-13-27-14-12-20/h5-15H,4,16-17H2,1-3H3

InChI Key

OEXOVTVGUHPCHV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14783571

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.52

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

3.484

Distribution Coefficient, logD

3.480

Water Solubility, LogSw

-3.69

Polar Surface Area

51.318

Acid Dissociation Constant (pKa)

16.72

Base Dissociation Constant (pKb)

5.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

C696-0835 in Drug Discovery

Included in Screening Libraries

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C696-0835 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C696-0835?
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What is the minimum amount of C696-0835 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C696-0835
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C696-0835
  • 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 C696-0835 available by request