C066-0702 Screening compound: 2-{[3-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}-N-(3,4,5-trimethoxyphenyl)acetamide

C066-0702 Screening compound: 2-{[3-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}-N-(3,4,5-trimethoxyphenyl)acetamide
C066-0702 Screening compound: 2-{[3-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}-N-(3,4,5-trimethoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-0702
2-{[3-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}-N-(3,4,5-trimethoxyphenyl)acetamide

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

C066-0702

Molecular Formula

C28H28N4O8 (C28 H28 N4 O8)

Compound Name

2-{[3-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}-N-(3,4,5-trimethoxyphenyl)acetamide

IUPAC name

2-{[3-(34-dimethoxyphenyl)-4-oxo-34-dihydrophthalazin-1-yl]formamido}-N-(345-trimethoxyphenyl)acetamide

SMILES

COc(ccc(N1N=C(C(NCC(Nc(cc2OC)cc(OC)c2OC)=O)=O)c(cccc2)c2C1=O)c1)c1OC

InChI

InChI=1S/C28H28N4O8/c1-36-20-11-10-17(14-21(20)37-2)32-28(35)19-9-7-6-8-18(19)25(31-32)27(34)29-15-24(33)30-16-12-22(38-3)26(40-5)23(13-16)39-4/h6-14H,15H2,1-5H3,(H,29,34)(H,30,33)

InChI Key

OLVGUQNBDZDMTM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14714593

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

548.55

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

2.334

Distribution Coefficient, logD

2.334

Water Solubility, LogSw

-3.24

Polar Surface Area

111.849

Acid Dissociation Constant (pKa)

10.80

Base Dissociation Constant (pKb)

1.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

C066-0702 in Drug Discovery

Included in Screening Libraries

Human Proteases Annotated Library (2868 compounds)

Antibacterial Compounds Library (13827 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C066-0702 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-0702?
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What is the minimum amount of C066-0702 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-0702
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-0702
  • 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 C066-0702 available by request