C066-0612 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{[3-(3-chloro-4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}acetamide

C066-0612 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{[3-(3-chloro-4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}acetamide
C066-0612 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{[3-(3-chloro-4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-0612
N-(2H-1,3-benzodioxol-5-yl)-2-{[3-(3-chloro-4-methoxyphenyl)-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

C066-0612

Molecular Formula

C25H19ClN4O6 (C25 H19 ClN4 O6)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-2-{[3-(3-chloro-4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}acetamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-{[3-(3-chloro-4-methoxyphenyl)-4-oxo-34-dihydrophthalazin-1-yl]formamido}acetamide

SMILES

COc(ccc(N1N=C(C(NCC(Nc(cc2)cc3c2OCO3)=O)=O)c(cccc2)c2C1=O)c1)c1Cl

InChI

InChI=1S/C25H19ClN4O6/c1-34-19-9-7-15(11-18(19)26)30-25(33)17-5-3-2-4-16(17)23(29-30)24(32)27-12-22(31)28-14-6-8-20-21(10-14)36-13-35-20/h2-11H,12-13H2,1H3,(H,27,32)(H,28,31)

InChI Key

ACHWOMAVFRMAJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14714533

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.9

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.504

Distribution Coefficient, logD

3.504

Water Solubility, LogSw

-3.84

Polar Surface Area

98.356

Acid Dissociation Constant (pKa)

11.49

Base Dissociation Constant (pKb)

1.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

C066-0612 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C066-0612 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-0612?
Check Price and Availability of C066-0612, 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 C066-0612 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-0612
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-0612
  • 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 C066-0612 available by request