C066-0238 Screening compound: N-{3-[benzyl(ethyl)amino]propyl}-2-{[3-(2,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}acetamide

C066-0238 Screening compound: N-{3-[benzyl(ethyl)amino]propyl}-2-{[3-(2,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}acetamide
C066-0238 Screening compound: N-{3-[benzyl(ethyl)amino]propyl}-2-{[3-(2,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-0238
N-{3-[benzyl(ethyl)amino]propyl}-2-{[3-(2,4-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

C066-0238

Molecular Formula

C31H35N5O5 (C31 H35 N5 O5)

Compound Name

N-{3-[benzyl(ethyl)amino]propyl}-2-{[3-(2,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}acetamide

IUPAC name

N-{3-[benzyl(ethyl)amino]propyl}-2-{[3-(24-dimethoxyphenyl)-4-oxo-34-dihydrophthalazin-1-yl]formamido}acetamide

SMILES

CCN(CCCNC(CNC(C(c1c2cccc1)=NN(c(ccc(OC)c1)c1OC)C2=O)=O)=O)Cc1ccccc1

InChI

InChI=1S/C31H35N5O5/c1-4-35(21-22-11-6-5-7-12-22)18-10-17-32-28(37)20-33-30(38)29-24-13-8-9-14-25(24)31(39)36(34-29)26-16-15-23(40-2)19-27(26)41-3/h5-9,11-16,19H,4,10,17-18,20-21H2,1-3H3,(H,32,37)(H,33,38)

InChI Key

NNZAQLVYVDRQIZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14714331

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

557.65

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.358

Distribution Coefficient, logD

1.711

Water Solubility, LogSw

-3.80

Polar Surface Area

93.334

Acid Dissociation Constant (pKa)

12.09

Base Dissociation Constant (pKb)

9.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.00

C066-0238 in Drug Discovery

Included in Screening Libraries

Aurora A-B Kinases Targeted Library (9426 compounds)

PD-1/L1 Library (498 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Targets:
  • Kinases
  • Others

References: we are preparing a list of scientific research reports with C066-0238 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-0238?
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What is the minimum amount of C066-0238 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-0238
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-0238
  • 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 C066-0238 available by request