K979-1137 Screening compound: ethyl 2-{[3-(3,5-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}acetate

K979-1137 Screening compound: ethyl 2-{[3-(3,5-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}acetate
K979-1137 Screening compound: ethyl 2-{[3-(3,5-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound K979-1137
ethyl 2-{[3-(3,5-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}acetate

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

K979-1137

Molecular Formula

C21H21N3O6 (C21 H21 N3 O6)

Compound Name

ethyl 2-{[3-(3,5-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}acetate

IUPAC name

ethyl 2-{[3-(35-dimethoxyphenyl)-4-oxo-34-dihydrophthalazin-1-yl]formamido}acetate

SMILES

CCOC(CNC(C(c1c2cccc1)=NN(c1cc(OC)cc(OC)c1)C2=O)=O)=O

InChI

InChI=1S/C21H21N3O6/c1-4-30-18(25)12-22-20(26)19-16-7-5-6-8-17(16)21(27)24(23-19)13-9-14(28-2)11-15(10-13)29-3/h5-11H,4,12H2,1-3H3,(H,22,26)

InChI Key

BEXZMSHAEPTDSP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15116093

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.41

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.553

Distribution Coefficient, logD

2.553

Water Solubility, LogSw

-3.06

Polar Surface Area

85.979

Acid Dissociation Constant (pKa)

12.09

Base Dissociation Constant (pKb)

0.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

K979-1137 in Drug Discovery

Included in Screening Libraries

Aurora A-B Kinases Targeted Library (9426 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 K979-1137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K979-1137?
Check Price and Availability of K979-1137, 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 K979-1137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K979-1137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K979-1137
  • 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 K979-1137 available by request