K979-1161 Screening compound: methyl 2-{[3-(3,5-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}acetate

K979-1161 Screening compound: methyl 2-{[3-(3,5-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}acetate
K979-1161 Screening compound: methyl 2-{[3-(3,5-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound K979-1161
methyl 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

K979-1161

Molecular Formula

C20H19N3O6 (C20 H19 N3 O6)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C20H19N3O6/c1-27-13-8-12(9-14(10-13)28-2)23-20(26)16-7-5-4-6-15(16)18(22-23)19(25)21-11-17(24)29-3/h4-10H,11H2,1-3H3,(H,21,25)

InChI Key

KCFUHVBPVWXRIZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15116106

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.39

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

2.029

Distribution Coefficient, logD

2.029

Water Solubility, LogSw

-2.85

Polar Surface Area

86.399

Acid Dissociation Constant (pKa)

12.09

Base Dissociation Constant (pKb)

0.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with K979-1161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K979-1161?
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What is the minimum amount of K979-1161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K979-1161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K979-1161
  • 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 K979-1161 available by request