J046-0679 Screening compound: N-[6-(4-chlorophenyl)-2-{[(4-fluorophenyl)carbamoyl]methyl}-3-oxo-2,3-dihydropyridazin-4-yl]propanamide

J046-0679 Screening compound: N-[6-(4-chlorophenyl)-2-{[(4-fluorophenyl)carbamoyl]methyl}-3-oxo-2,3-dihydropyridazin-4-yl]propanamide
J046-0679 Screening compound: N-[6-(4-chlorophenyl)-2-{[(4-fluorophenyl)carbamoyl]methyl}-3-oxo-2,3-dihydropyridazin-4-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J046-0679
N-[6-(4-chlorophenyl)-2-{[(4-fluorophenyl)carbamoyl]methyl}-3-oxo-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

J046-0679

Molecular Formula

C21H18ClFN4O3 (C21 H18 ClFN4 O3)

Compound Name

N-[6-(4-chlorophenyl)-2-{[(4-fluorophenyl)carbamoyl]methyl}-3-oxo-2,3-dihydropyridazin-4-yl]propanamide

IUPAC name

N-[6-(4-chlorophenyl)-2-{[(4-fluorophenyl)carbamoyl]methyl}-3-oxo-23-dihydropyridazin-4-yl]propanamide

SMILES

CCC(NC1=CC(c(cc2)ccc2Cl)=NN(CC(Nc(cc2)ccc2F)=O)C1=O)=O

InChI

InChI=1S/C21H18ClFN4O3/c1-2-19(28)25-18-11-17(13-3-5-14(22)6-4-13)26-27(21(18)30)12-20(29)24-16-9-7-15(23)8-10-16/h3-11H,2,12H2,1H3,(H,24,29)(H,25,28)

InChI Key

OUMPKGYNBAYOJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27222366

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.85

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.558

Distribution Coefficient, logD

3.546

Water Solubility, LogSw

-4.10

Polar Surface Area

75.532

Acid Dissociation Constant (pKa)

8.98

Base Dissociation Constant (pKb)

4.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

J046-0679 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 J046-0679 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J046-0679?
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What is the minimum amount of J046-0679 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J046-0679
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J046-0679
  • 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 J046-0679 available by request