C066-0637 Screening compound: N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-{[3-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}acetamide

C066-0637 Screening compound: N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-{[3-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}acetamide
C066-0637 Screening compound: N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-{[3-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-0637
N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-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

C066-0637

Molecular Formula

C28H26N4O7 (C28 H26 N4 O7)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(N1N=C(C(NCC(NCC2Oc(cccc3)c3OC2)=O)=O)c(cccc2)c2C1=O)c1)c1OC

InChI

InChI=1S/C28H26N4O7/c1-36-21-12-11-17(13-24(21)37-2)32-28(35)20-8-4-3-7-19(20)26(31-32)27(34)30-15-25(33)29-14-18-16-38-22-9-5-6-10-23(22)39-18/h3-13,18H,14-16H2,1-2H3,(H,29,33)(H,30,34)/t18-/m0/s1

InChI Key

SCRBMTSDABADQB-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14714553

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

530.54

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.544

Distribution Coefficient, logD

2.544

Water Solubility, LogSw

-3.16

Polar Surface Area

105.873

Acid Dissociation Constant (pKa)

12.09

Base Dissociation Constant (pKb)

2.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.40

C066-0637 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Annotated Library (21441 compounds)

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

Aurora A-B Kinases Targeted Library (9426 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C066-0637 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-0637?
Check Price and Availability of C066-0637, 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 C066-0637 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-0637
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-0637
  • 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 C066-0637 available by request