J046-0761 Screening compound: N-(2-{[(2,4-difluorophenyl)carbamoyl]methyl}-3-oxo-6-phenyl-2,3-dihydropyridazin-4-yl)benzamide

J046-0761 Screening compound: N-(2-{[(2,4-difluorophenyl)carbamoyl]methyl}-3-oxo-6-phenyl-2,3-dihydropyridazin-4-yl)benzamide
J046-0761 Screening compound: N-(2-{[(2,4-difluorophenyl)carbamoyl]methyl}-3-oxo-6-phenyl-2,3-dihydropyridazin-4-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J046-0761
N-(2-{[(2,4-difluorophenyl)carbamoyl]methyl}-3-oxo-6-phenyl-2,3-dihydropyridazin-4-yl)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

J046-0761

Molecular Formula

C25H18F2N4O3 (C25 H18 F2 N4 O3)

Compound Name

N-(2-{[(2,4-difluorophenyl)carbamoyl]methyl}-3-oxo-6-phenyl-2,3-dihydropyridazin-4-yl)benzamide

IUPAC name

N-(2-{[(24-difluorophenyl)carbamoyl]methyl}-3-oxo-6-phenyl-23-dihydropyridazin-4-yl)benzamide

SMILES

O=C(CN(C(C(NC(c1ccccc1)=O)=C1)=O)N=C1c1ccccc1)Nc(ccc(F)c1)c1F

InChI

InChI=1S/C25H18F2N4O3/c26-18-11-12-20(19(27)13-18)28-23(32)15-31-25(34)22(29-24(33)17-9-5-2-6-10-17)14-21(30-31)16-7-3-1-4-8-16/h1-14H,15H2,(H,28,32)(H,29,33)

InChI Key

BRTNAGTXYWZULP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27222383

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.44

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

3.705

Distribution Coefficient, logD

3.437

Water Solubility, LogSw

-4.09

Polar Surface Area

74.776

Acid Dissociation Constant (pKa)

7.47

Base Dissociation Constant (pKb)

2.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.00

J046-0761 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 J046-0761 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J046-0761?
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What is the minimum amount of J046-0761 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J046-0761
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J046-0761
  • 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 J046-0761 available by request