J046-1107 Screening compound: 2-methyl-N-[6-(4-methylphenyl)-3-oxo-2-({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)-2,3-dihydropyridazin-4-yl]propanamide

J046-1107 Screening compound: 2-methyl-N-[6-(4-methylphenyl)-3-oxo-2-({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)-2,3-dihydropyridazin-4-yl]propanamide
J046-1107 Screening compound: 2-methyl-N-[6-(4-methylphenyl)-3-oxo-2-({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)-2,3-dihydropyridazin-4-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J046-1107
2-methyl-N-[6-(4-methylphenyl)-3-oxo-2-({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)-2,3-dihydropyridazin-4-yl]propanamide

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

J046-1107

Molecular Formula

C24H23F3N4O3 (C24 H23 F3 N4 O3)

Compound Name

2-methyl-N-[6-(4-methylphenyl)-3-oxo-2-({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)-2,3-dihydropyridazin-4-yl]propanamide

IUPAC name

2-methyl-N-[6-(4-methylphenyl)-3-oxo-2-({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)-23-dihydropyridazin-4-yl]propanamide

SMILES

CC(C)C(NC1=CC(c2ccc(C)cc2)=NN(CC(Nc2c(C(F)(F)F)cccc2)=O)C1=O)=O

InChI

InChI=1S/C24H23F3N4O3/c1-14(2)22(33)29-20-12-19(16-10-8-15(3)9-11-16)30-31(23(20)34)13-21(32)28-18-7-5-4-6-17(18)24(25,26)27/h4-12,14H,13H2,1-3H3,(H,28,32)(H,29,33)

InChI Key

BVFAEXDHXUYUSB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27222492

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.469

Distribution Coefficient, logD

4.449

Water Solubility, LogSw

-4.33

Polar Surface Area

75.047

Acid Dissociation Constant (pKa)

8.72

Base Dissociation Constant (pKb)

-1.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

J046-1107 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with J046-1107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J046-1107?
Check Price and Availability of J046-1107, 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 J046-1107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J046-1107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J046-1107
  • 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 J046-1107 available by request