C075-0229 Screening compound: 3-(4-methoxyphenyl)-4-oxo-N-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-3,4-dihydrophthalazine-1-carboxamide

C075-0229 Screening compound: 3-(4-methoxyphenyl)-4-oxo-N-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-3,4-dihydrophthalazine-1-carboxamide
C075-0229 Screening compound: 3-(4-methoxyphenyl)-4-oxo-N-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-3,4-dihydrophthalazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C075-0229
3-(4-methoxyphenyl)-4-oxo-N-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-3,4-dihydrophthalazine-1-carboxamide

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

C075-0229

Molecular Formula

C27H26N6O4 (C27 H26 N6 O4)

Compound Name

3-(4-methoxyphenyl)-4-oxo-N-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-3,4-dihydrophthalazine-1-carboxamide

IUPAC name

n/a

SMILES

COc(cc1)ccc1N1N=C(C(NCC(N(CC2)CCN2c2ncccc2)=O)=O)c(cccc2)c2C1=O

InChI

InChI=1S/C27H26N6O4/c1-37-20-11-9-19(10-12-20)33-27(36)22-7-3-2-6-21(22)25(30-33)26(35)29-18-24(34)32-16-14-31(15-17-32)23-8-4-5-13-28-23/h2-13H,14-18H2,1H3,(H,29,35)

InChI Key

NAGXLSKTCQEABE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14717760

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.556

Distribution Coefficient, logD

2.547

Water Solubility, LogSw

-2.96

Polar Surface Area

86.169

Acid Dissociation Constant (pKa)

11.38

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

C075-0229 in Drug Discovery

Included in Screening Libraries

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Ion Channels
  • Kinases

References: we are preparing a list of scientific research reports with C075-0229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C075-0229?
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What is the minimum amount of C075-0229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C075-0229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C075-0229
  • 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 C075-0229 available by request