J046-0387 Screening compound: N-(2-{[(3,5-difluorophenyl)carbamoyl]methyl}-3-oxo-6-phenyl-2,3-dihydropyridazin-4-yl)propanamide

J046-0387 Screening compound: N-(2-{[(3,5-difluorophenyl)carbamoyl]methyl}-3-oxo-6-phenyl-2,3-dihydropyridazin-4-yl)propanamide
J046-0387 Screening compound: N-(2-{[(3,5-difluorophenyl)carbamoyl]methyl}-3-oxo-6-phenyl-2,3-dihydropyridazin-4-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J046-0387
N-(2-{[(3,5-difluorophenyl)carbamoyl]methyl}-3-oxo-6-phenyl-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

J046-0387

Molecular Formula

C21H18F2N4O3 (C21 H18 F2 N4 O3)

Compound Name

N-(2-{[(3,5-difluorophenyl)carbamoyl]methyl}-3-oxo-6-phenyl-2,3-dihydropyridazin-4-yl)propanamide

IUPAC name

N-(2-{[(35-difluorophenyl)carbamoyl]methyl}-3-oxo-6-phenyl-23-dihydropyridazin-4-yl)propanamide

SMILES

CCC(NC1=CC(c2ccccc2)=NN(CC(Nc2cc(F)cc(F)c2)=O)C1=O)=O

InChI

InChI=1S/C21H18F2N4O3/c1-2-19(28)25-18-11-17(13-6-4-3-5-7-13)26-27(21(18)30)12-20(29)24-16-9-14(22)8-15(23)10-16/h3-11H,2,12H2,1H3,(H,24,29)(H,25,28)

InChI Key

GKKRAUFXGBUKHZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27222307

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.4

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

3.291

Distribution Coefficient, logD

3.280

Water Solubility, LogSw

-3.52

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

References: we are preparing a list of scientific research reports with J046-0387 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J046-0387?
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What is the minimum amount of J046-0387 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J046-0387
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J046-0387
  • 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 J046-0387 available by request