C066-0588 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[3-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}acetamide

C066-0588 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[3-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}acetamide
C066-0588 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[3-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-0588
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[3-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}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

C066-0588

Molecular Formula

C27H24N4O7 (C27 H24 N4 O7)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[3-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}acetamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-2-{[3-(34-dimethoxyphenyl)-4-oxo-34-dihydrophthalazin-1-yl]formamido}acetamide

SMILES

COc(ccc(N1N=C(C(NCC(Nc(cc2)cc3c2OCCO3)=O)=O)c(cccc2)c2C1=O)c1)c1OC

InChI

InChI=1S/C27H24N4O7/c1-35-20-10-8-17(14-22(20)36-2)31-27(34)19-6-4-3-5-18(19)25(30-31)26(33)28-15-24(32)29-16-7-9-21-23(13-16)38-12-11-37-21/h3-10,13-14H,11-12,15H2,1-2H3,(H,28,33)(H,29,32)

InChI Key

NLEZBRVVMHRFPD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14714516

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.51

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.926

Distribution Coefficient, logD

1.926

Water Solubility, LogSw

-2.95

Polar Surface Area

104.694

Acid Dissociation Constant (pKa)

11.49

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

C066-0588 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C066-0588 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-0588?
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What is the minimum amount of C066-0588 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-0588
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-0588
  • 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 C066-0588 available by request