K979-0955 Screening compound: 3-(2,4-dimethoxyphenyl)-4-oxo-N-(4-phenoxyphenyl)-3,4-dihydrophthalazine-1-carboxamide

K979-0955 Screening compound: 3-(2,4-dimethoxyphenyl)-4-oxo-N-(4-phenoxyphenyl)-3,4-dihydrophthalazine-1-carboxamide
K979-0955 Screening compound: 3-(2,4-dimethoxyphenyl)-4-oxo-N-(4-phenoxyphenyl)-3,4-dihydrophthalazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K979-0955
3-(2,4-dimethoxyphenyl)-4-oxo-N-(4-phenoxyphenyl)-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

K979-0955

Molecular Formula

C29H23N3O5 (C29 H23 N3 O5)

Compound Name

3-(2,4-dimethoxyphenyl)-4-oxo-N-(4-phenoxyphenyl)-3,4-dihydrophthalazine-1-carboxamide

IUPAC name

3-(24-dimethoxyphenyl)-4-oxo-N-(4-phenoxyphenyl)-34-dihydrophthalazine-1-carboxamide

SMILES

COc(cc1)cc(OC)c1N1N=C(C(Nc(cc2)ccc2Oc2ccccc2)=O)c(cccc2)c2C1=O

InChI

InChI=1S/C29H23N3O5/c1-35-22-16-17-25(26(18-22)36-2)32-29(34)24-11-7-6-10-23(24)27(31-32)28(33)30-19-12-14-21(15-13-19)37-20-8-4-3-5-9-20/h3-18H,1-2H3,(H,30,33)

InChI Key

VJCXHAUWIOEPBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15116001

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.474

Distribution Coefficient, logD

5.474

Water Solubility, LogSw

-5.49

Polar Surface Area

70.760

Acid Dissociation Constant (pKa)

10.67

Base Dissociation Constant (pKb)

-1.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.90

K979-0955 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

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

CNS Targets (44014 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K979-0955 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K979-0955?
Check Price and Availability of K979-0955, 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 K979-0955 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K979-0955
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K979-0955
  • 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 K979-0955 available by request