C075-0245 Screening compound: N-(3-acetamidophenyl)-2-{[3-(4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}acetamide

C075-0245 Screening compound: N-(3-acetamidophenyl)-2-{[3-(4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}acetamide
C075-0245 Screening compound: N-(3-acetamidophenyl)-2-{[3-(4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C075-0245
N-(3-acetamidophenyl)-2-{[3-(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

C075-0245

Molecular Formula

C26H23N5O5 (C26 H23 N5 O5)

Compound Name

N-(3-acetamidophenyl)-2-{[3-(4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}acetamide

IUPAC name

N-(3-acetamidophenyl)-2-{[3-(4-methoxyphenyl)-4-oxo-34-dihydrophthalazin-1-yl]formamido}acetamide

SMILES

CC(Nc1cccc(NC(CNC(C(c2c3cccc2)=NN(c(cc2)ccc2OC)C3=O)=O)=O)c1)=O

InChI

InChI=1S/C26H23N5O5/c1-16(32)28-17-6-5-7-18(14-17)29-23(33)15-27-25(34)24-21-8-3-4-9-22(21)26(35)31(30-24)19-10-12-20(36-2)13-11-19/h3-14H,15H2,1-2H3,(H,27,34)(H,28,32)(H,29,33)

InChI Key

CIFGYLLGWCYIFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14717771

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.478

Distribution Coefficient, logD

2.478

Water Solubility, LogSw

-3.11

Polar Surface Area

104.416

Acid Dissociation Constant (pKa)

11.49

Base Dissociation Constant (pKb)

-0.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

C075-0245 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C075-0245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C075-0245?
Check Price and Availability of C075-0245, 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 C075-0245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C075-0245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C075-0245
  • 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 C075-0245 available by request