K979-1116 Screening compound: methyl 2-[3-(3,5-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-amido]benzoate

K979-1116 Screening compound: methyl 2-[3-(3,5-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-amido]benzoate
K979-1116 Screening compound: methyl 2-[3-(3,5-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K979-1116
methyl 2-[3-(3,5-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-amido]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

K979-1116

Molecular Formula

C25H21N3O6 (C25 H21 N3 O6)

Compound Name

methyl 2-[3-(3,5-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-amido]benzoate

IUPAC name

methyl 2-[3-(35-dimethoxyphenyl)-4-oxo-34-dihydrophthalazine-1-amido]benzoate

SMILES

COC(c(cccc1)c1NC(C(c1c2cccc1)=NN(c1cc(OC)cc(OC)c1)C2=O)=O)=O

InChI

InChI=1S/C25H21N3O6/c1-32-16-12-15(13-17(14-16)33-2)28-24(30)19-9-5-4-8-18(19)22(27-28)23(29)26-21-11-7-6-10-20(21)25(31)34-3/h4-14H,1-3H3,(H,26,29)

InChI Key

PTFMWFLCTCKHTB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15116085

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.031

Distribution Coefficient, logD

3.413

Water Solubility, LogSw

-4.26

Polar Surface Area

84.702

Acid Dissociation Constant (pKa)

6.90

Base Dissociation Constant (pKb)

1.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

K979-1116 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 K979-1116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K979-1116?
Check Price and Availability of K979-1116, 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 K979-1116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K979-1116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K979-1116
  • 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 K979-1116 available by request