8015-4100 Screening compound: 4-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide

8015-4100 Screening compound: 4-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide
8015-4100 Screening compound: 4-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-4100
4-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide

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

8015-4100

Molecular Formula

C23H16F3N3O3 (C23 H16 F3 N3 O3)

Compound Name

4-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide

IUPAC name

4-(3-methyl-4-oxo-34-dihydrophthalazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide

SMILES

CN1N=C(c(cc2)ccc2C(Nc(cc2)ccc2OC(F)(F)F)=O)c(cccc2)c2C1=O

InChI

InChI=1S/C23H16F3N3O3/c1-29-22(31)19-5-3-2-4-18(19)20(28-29)14-6-8-15(9-7-14)21(30)27-16-10-12-17(13-11-16)32-23(24,25)26/h2-13H,1H3,(H,27,30)

InChI Key

MOFBTSJGZHUSGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04061312

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.479

Distribution Coefficient, logD

4.479

Water Solubility, LogSw

-4.36

Polar Surface Area

56.174

Acid Dissociation Constant (pKa)

10.75

Base Dissociation Constant (pKb)

3.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

8015-4100 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 8015-4100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-4100?
Check Price and Availability of 8015-4100, 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 8015-4100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-4100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-4100
  • 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 8015-4100 available by request