C075-0176 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[3-(4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}acetamide

C075-0176 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[3-(4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}acetamide
C075-0176 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[3-(4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C075-0176
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-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

C075-0176

Molecular Formula

C26H22N4O6 (C26 H22 N4 O6)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[3-(4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}acetamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-2-{[3-(4-methoxyphenyl)-4-oxo-34-dihydrophthalazin-1-yl]formamido}acetamide

SMILES

COc(cc1)ccc1N1N=C(C(NCC(Nc(cc2)cc3c2OCCO3)=O)=O)c(cccc2)c2C1=O

InChI

InChI=1S/C26H22N4O6/c1-34-18-9-7-17(8-10-18)30-26(33)20-5-3-2-4-19(20)24(29-30)25(32)27-15-23(31)28-16-6-11-21-22(14-16)36-13-12-35-21/h2-11,14H,12-13,15H2,1H3,(H,27,32)(H,28,31)

InChI Key

XZQSTOMAFGBYDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14717725

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.48

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

2.246

Distribution Coefficient, logD

2.246

Water Solubility, LogSw

-3.15

Polar Surface Area

96.977

Acid Dissociation Constant (pKa)

11.49

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

C075-0176 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C075-0176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C075-0176?
Check Price and Availability of C075-0176, 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 C075-0176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C075-0176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C075-0176
  • 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 C075-0176 available by request