K979-0714 Screening compound: 3-(4-ethoxyphenyl)-4-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydrophthalazine-1-carboxamide

K979-0714 Screening compound: 3-(4-ethoxyphenyl)-4-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydrophthalazine-1-carboxamide
K979-0714 Screening compound: 3-(4-ethoxyphenyl)-4-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydrophthalazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K979-0714
3-(4-ethoxyphenyl)-4-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydrophthalazine-1-carboxamide

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

K979-0714

Molecular Formula

C24H18F3N3O3 (C24 H18 F3 N3 O3)

Compound Name

3-(4-ethoxyphenyl)-4-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydrophthalazine-1-carboxamide

IUPAC name

3-(4-ethoxyphenyl)-4-oxo-N-[3-(trifluoromethyl)phenyl]-34-dihydrophthalazine-1-carboxamide

SMILES

CCOc(cc1)ccc1N1N=C(C(Nc2cccc(C(F)(F)F)c2)=O)c(cccc2)c2C1=O

InChI

InChI=1S/C24H18F3N3O3/c1-2-33-18-12-10-17(11-13-18)30-23(32)20-9-4-3-8-19(20)21(29-30)22(31)28-16-7-5-6-15(14-16)24(25,26)27/h3-14H,2H2,1H3,(H,28,31)

InChI Key

RLKIKYUHAXBLGN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15115926

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.140

Distribution Coefficient, logD

5.099

Water Solubility, LogSw

-5.00

Polar Surface Area

56.262

Acid Dissociation Constant (pKa)

8.40

Base Dissociation Constant (pKb)

0.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

K979-0714 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K979-0714 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K979-0714?
Check Price and Availability of K979-0714, 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 K979-0714 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K979-0714
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K979-0714
  • 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 K979-0714 available by request