C066-0129 Screening compound: 2-{[3-(2,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}-N-[(4-fluorophenyl)methyl]acetamide

C066-0129 Screening compound: 2-{[3-(2,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}-N-[(4-fluorophenyl)methyl]acetamide
C066-0129 Screening compound: 2-{[3-(2,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}-N-[(4-fluorophenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-0129
2-{[3-(2,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}-N-[(4-fluorophenyl)methyl]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

C066-0129

Molecular Formula

C26H23FN4O5 (C26 H23 FN4 O5)

Compound Name

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

IUPAC name

2-{[3-(24-dimethoxyphenyl)-4-oxo-34-dihydrophthalazin-1-yl]formamido}-N-[(4-fluorophenyl)methyl]acetamide

SMILES

COc(cc1)cc(OC)c1N1N=C(C(NCC(NCc(cc2)ccc2F)=O)=O)c(cccc2)c2C1=O

InChI

InChI=1S/C26H23FN4O5/c1-35-18-11-12-21(22(13-18)36-2)31-26(34)20-6-4-3-5-19(20)24(30-31)25(33)29-15-23(32)28-14-16-7-9-17(27)10-8-16/h3-13H,14-15H2,1-2H3,(H,28,32)(H,29,33)

InChI Key

OOURGDAYSPSVCT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14714292

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.198

Distribution Coefficient, logD

3.198

Water Solubility, LogSw

-3.73

Polar Surface Area

89.806

Acid Dissociation Constant (pKa)

12.09

Base Dissociation Constant (pKb)

-0.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

C066-0129 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C066-0129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-0129?
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What is the minimum amount of C066-0129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-0129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-0129
  • 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 C066-0129 available by request