C696-0995 Screening compound: N-(2-methoxyphenyl)-2-{1-oxo-4-[(pyridin-3-yl)methyl]-1,2-dihydrophthalazin-2-yl}acetamide

C696-0995 Screening compound: N-(2-methoxyphenyl)-2-{1-oxo-4-[(pyridin-3-yl)methyl]-1,2-dihydrophthalazin-2-yl}acetamide
C696-0995 Screening compound: N-(2-methoxyphenyl)-2-{1-oxo-4-[(pyridin-3-yl)methyl]-1,2-dihydrophthalazin-2-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C696-0995
N-(2-methoxyphenyl)-2-{1-oxo-4-[(pyridin-3-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

C696-0995

Molecular Formula

C23H20N4O3 (C23 H20 N4 O3)

Compound Name

N-(2-methoxyphenyl)-2-{1-oxo-4-[(pyridin-3-yl)methyl]-1,2-dihydrophthalazin-2-yl}acetamide

IUPAC name

N-(2-methoxyphenyl)-2-{1-oxo-4-[(pyridin-3-yl)methyl]-12-dihydrophthalazin-2-yl}acetamide

SMILES

COc(cccc1)c1NC(CN1N=C(Cc2cnccc2)c(cccc2)c2C1=O)=O

InChI

InChI=1S/C23H20N4O3/c1-30-21-11-5-4-10-19(21)25-22(28)15-27-23(29)18-9-3-2-8-17(18)20(26-27)13-16-7-6-12-24-14-16/h2-12,14H,13,15H2,1H3,(H,25,28)

InChI Key

MXVOIAOSLMEEEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14783651

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.263

Distribution Coefficient, logD

2.251

Water Solubility, LogSw

-2.68

Polar Surface Area

66.699

Acid Dissociation Constant (pKa)

11.69

Base Dissociation Constant (pKb)

5.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

C696-0995 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Dark Chemical Matter Library (18430 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Structure:
  • Pool
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C696-0995 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C696-0995?
Check Price and Availability of C696-0995, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C696-0995 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C696-0995
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C696-0995
  • 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 C696-0995 available by request