6016-3166 Screening compound: N,N-diethyl-4-{3-[4-(4-methylphenyl)-1-oxo-1,2-dihydrophthalazin-2-yl]propanamido}benzamide

6016-3166 Screening compound: N,N-diethyl-4-{3-[4-(4-methylphenyl)-1-oxo-1,2-dihydrophthalazin-2-yl]propanamido}benzamide
6016-3166 Screening compound: N,N-diethyl-4-{3-[4-(4-methylphenyl)-1-oxo-1,2-dihydrophthalazin-2-yl]propanamido}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6016-3166
N,N-diethyl-4-{3-[4-(4-methylphenyl)-1-oxo-1,2-dihydrophthalazin-2-yl]propanamido}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

6016-3166

Molecular Formula

C29H30N4O3 (C29 H30 N4 O3)

Compound Name

N,N-diethyl-4-{3-[4-(4-methylphenyl)-1-oxo-1,2-dihydrophthalazin-2-yl]propanamido}benzamide

IUPAC name

NN-diethyl-4-{3-[4-(4-methylphenyl)-1-oxo-12-dihydrophthalazin-2-yl]propanamido}benzamide

SMILES

CCN(CC)C(c(cc1)ccc1NC(CCN1N=C(c2ccc(C)cc2)c(cccc2)c2C1=O)=O)=O

InChI

InChI=1S/C29H30N4O3/c1-4-32(5-2)28(35)22-14-16-23(17-15-22)30-26(34)18-19-33-29(36)25-9-7-6-8-24(25)27(31-33)21-12-10-20(3)11-13-21/h6-17H,4-5,18-19H2,1-3H3,(H,30,34)

InChI Key

OKIFUNMHVKHXSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04018940

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.534

Distribution Coefficient, logD

3.533

Water Solubility, LogSw

-3.60

Polar Surface Area

66.255

Acid Dissociation Constant (pKa)

10.26

Base Dissociation Constant (pKb)

4.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

6016-3166 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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
Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 6016-3166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6016-3166?
Check Price and Availability of 6016-3166, 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 6016-3166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6016-3166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6016-3166
  • 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 6016-3166 available by request