P041-1702 Screening compound: 1-{[(3,5-dimethylphenyl)carbamoyl]methyl}-N-(4-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxamide

P041-1702 Screening compound: 1-{[(3,5-dimethylphenyl)carbamoyl]methyl}-N-(4-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxamide
P041-1702 Screening compound: 1-{[(3,5-dimethylphenyl)carbamoyl]methyl}-N-(4-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P041-1702
1-{[(3,5-dimethylphenyl)carbamoyl]methyl}-N-(4-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxamide

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

P041-1702

Molecular Formula

C21H21FN4O3 (C21 H21 FN4 O3)

Compound Name

1-{[(3,5-dimethylphenyl)carbamoyl]methyl}-N-(4-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxamide

IUPAC name

1-{[(35-dimethylphenyl)carbamoyl]methyl}-N-(4-fluorophenyl)-6-oxo-1456-tetrahydropyridazine-3-carboxamide

SMILES

Cc1cc(NC(CN(C(CC2)=O)N=C2C(Nc(cc2)ccc2F)=O)=O)cc(C)c1

InChI

InChI=1S/C21H21FN4O3/c1-13-9-14(2)11-17(10-13)23-19(27)12-26-20(28)8-7-18(25-26)21(29)24-16-5-3-15(22)4-6-16/h3-6,9-11H,7-8,12H2,1-2H3,(H,23,27)(H,24,29)

InChI Key

FFDYUFZVELZWCL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20752426

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.820

Distribution Coefficient, logD

2.819

Water Solubility, LogSw

-3.24

Polar Surface Area

75.060

Acid Dissociation Constant (pKa)

10.44

Base Dissociation Constant (pKb)

2.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with P041-1702 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P041-1702?
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What is the minimum amount of P041-1702 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P041-1702
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P041-1702
  • 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 P041-1702 available by request