6016-3014 Screening compound: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-{[2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)phenyl]methyl}acetamide

6016-3014 Screening compound: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-{[2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)phenyl]methyl}acetamide
6016-3014 Screening compound: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-{[2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)phenyl]methyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6016-3014
2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-{[2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)phenyl]methyl}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

6016-3014

Molecular Formula

C24H25N5O2 (C24 H25 N5 O2)

Compound Name

2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-{[2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)phenyl]methyl}acetamide

IUPAC name

2-(35-dimethyl-1H-pyrazol-1-yl)-N-{[2-methyl-5-(3-methyl-4-oxo-34-dihydrophthalazin-1-yl)phenyl]methyl}acetamide

SMILES

Cc1cc(C)nn1CC(NCc1c(C)ccc(C(c2c3cccc2)=NN(C)C3=O)c1)=O

InChI

InChI=1S/C24H25N5O2/c1-15-9-10-18(23-20-7-5-6-8-21(20)24(31)28(4)27-23)12-19(15)13-25-22(30)14-29-17(3)11-16(2)26-29/h5-12H,13-14H2,1-4H3,(H,25,30)

InChI Key

VCIBGWOMCVFNIW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04004810

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.703

Distribution Coefficient, logD

2.700

Water Solubility, LogSw

-3.15

Polar Surface Area

65.353

Acid Dissociation Constant (pKa)

12.29

Base Dissociation Constant (pKb)

5.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

6016-3014 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 6016-3014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6016-3014?
Check Price and Availability of 6016-3014, 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 6016-3014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6016-3014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6016-3014
  • 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 6016-3014 available by request