C696-0925 Screening compound: ethyl 4-(2-{1-oxo-4-[(pyridin-4-yl)methyl]-1,2-dihydrophthalazin-2-yl}acetamido)benzoate

C696-0925 Screening compound: ethyl 4-(2-{1-oxo-4-[(pyridin-4-yl)methyl]-1,2-dihydrophthalazin-2-yl}acetamido)benzoate
C696-0925 Screening compound: ethyl 4-(2-{1-oxo-4-[(pyridin-4-yl)methyl]-1,2-dihydrophthalazin-2-yl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C696-0925
ethyl 4-(2-{1-oxo-4-[(pyridin-4-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

C696-0925

Molecular Formula

C25H22N4O4 (C25 H22 N4 O4)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c(cc1)ccc1NC(CN1N=C(Cc2ccncc2)c(cccc2)c2C1=O)=O)=O

InChI

InChI=1S/C25H22N4O4/c1-2-33-25(32)18-7-9-19(10-8-18)27-23(30)16-29-24(31)21-6-4-3-5-20(21)22(28-29)15-17-11-13-26-14-12-17/h3-14H,2,15-16H2,1H3,(H,27,30)

InChI Key

OPTDRPBELOPASF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14783620

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.042

Distribution Coefficient, logD

3.038

Water Solubility, LogSw

-3.29

Polar Surface Area

80.430

Acid Dissociation Constant (pKa)

11.45

Base Dissociation Constant (pKb)

5.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

C696-0925 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C696-0925 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C696-0925?
Check Price and Availability of C696-0925, 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 C696-0925 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C696-0925
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C696-0925
  • 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 C696-0925 available by request