C066-0631 Screening compound: ethyl 2-(2-{[3-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}acetamido)acetate

C066-0631 Screening compound: ethyl 2-(2-{[3-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}acetamido)acetate
C066-0631 Screening compound: ethyl 2-(2-{[3-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}acetamido)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-0631
ethyl 2-(2-{[3-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}acetamido)acetate

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

C066-0631

Molecular Formula

C23H24N4O7 (C23 H24 N4 O7)

Compound Name

ethyl 2-(2-{[3-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}acetamido)acetate

IUPAC name

ethyl 2-(2-{[3-(34-dimethoxyphenyl)-4-oxo-34-dihydrophthalazin-1-yl]formamido}acetamido)acetate

SMILES

CCOC(CNC(CNC(C(c1c2cccc1)=NN(c(cc1)cc(OC)c1OC)C2=O)=O)=O)=O

InChI

InChI=1S/C23H24N4O7/c1-4-34-20(29)13-24-19(28)12-25-22(30)21-15-7-5-6-8-16(15)23(31)27(26-21)14-9-10-17(32-2)18(11-14)33-3/h5-11H,4,12-13H2,1-3H3,(H,24,28)(H,25,30)

InChI Key

BKTHKSBSPAIIIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14714548

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.47

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.597

Distribution Coefficient, logD

1.597

Water Solubility, LogSw

-2.62

Polar Surface Area

110.624

Acid Dissociation Constant (pKa)

12.09

Base Dissociation Constant (pKb)

2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

C066-0631 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C066-0631 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-0631?
Check Price and Availability of C066-0631, 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 C066-0631 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-0631
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-0631
  • 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 C066-0631 available by request