C696-1039 Screening compound: methyl 2-(2-{1-oxo-4-[(pyridin-3-yl)methyl]-1,2-dihydrophthalazin-2-yl}acetamido)benzoate

C696-1039 Screening compound: methyl 2-(2-{1-oxo-4-[(pyridin-3-yl)methyl]-1,2-dihydrophthalazin-2-yl}acetamido)benzoate
C696-1039 Screening compound: methyl 2-(2-{1-oxo-4-[(pyridin-3-yl)methyl]-1,2-dihydrophthalazin-2-yl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C696-1039
methyl 2-(2-{1-oxo-4-[(pyridin-3-yl)methyl]-1,2-dihydrophthalazin-2-yl}acetamido)benzoate

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

C696-1039

Molecular Formula

C24H20N4O4 (C24 H20 N4 O4)

Compound Name

methyl 2-(2-{1-oxo-4-[(pyridin-3-yl)methyl]-1,2-dihydrophthalazin-2-yl}acetamido)benzoate

IUPAC name

methyl 2-(2-{1-oxo-4-[(pyridin-3-yl)methyl]-12-dihydrophthalazin-2-yl}acetamido)benzoate

SMILES

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

InChI

InChI=1S/C24H20N4O4/c1-32-24(31)19-10-4-5-11-20(19)26-22(29)15-28-23(30)18-9-3-2-8-17(18)21(27-28)13-16-7-6-12-25-14-16/h2-12,14H,13,15H2,1H3,(H,26,29)

InChI Key

FVZMPFMOWXRQJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14783676

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.235

Distribution Coefficient, logD

2.216

Water Solubility, LogSw

-2.65

Polar Surface Area

80.242

Acid Dissociation Constant (pKa)

9.23

Base Dissociation Constant (pKb)

5.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

C696-1039 in Drug Discovery

Included in Screening Libraries

Aurora A-B Kinases Targeted Library (9426 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C696-1039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C696-1039?
Check Price and Availability of C696-1039, 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 C696-1039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C696-1039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C696-1039
  • 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 C696-1039 available by request