P041-1549 Screening compound: 1-{[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]methyl}-N-(4-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxamide

P041-1549 Screening compound: 1-{[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]methyl}-N-(4-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxamide
P041-1549 Screening compound: 1-{[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]methyl}-N-(4-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P041-1549
1-{[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]methyl}-N-(4-methylphenyl)-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

P041-1549

Molecular Formula

C22H22N4O5 (C22 H22 N4 O5)

Compound Name

1-{[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]methyl}-N-(4-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxamide

IUPAC name

1-{[(23-dihydro-14-benzodioxin-6-yl)carbamoyl]methyl}-N-(4-methylphenyl)-6-oxo-1456-tetrahydropyridazine-3-carboxamide

SMILES

Cc(cc1)ccc1NC(C(CC1)=NN(CC(Nc(cc2)cc3c2OCCO3)=O)C1=O)=O

InChI

InChI=1S/C22H22N4O5/c1-14-2-4-15(5-3-14)24-22(29)17-7-9-21(28)26(25-17)13-20(27)23-16-6-8-18-19(12-16)31-11-10-30-18/h2-6,8,12H,7,9-11,13H2,1H3,(H,23,27)(H,24,29)

InChI Key

RRANTZYOOUMZRE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27560108

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.494

Distribution Coefficient, logD

1.494

Water Solubility, LogSw

-2.36

Polar Surface Area

90.883

Acid Dissociation Constant (pKa)

11.60

Base Dissociation Constant (pKb)

-0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

P041-1549 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P041-1549 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P041-1549?
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What is the minimum amount of P041-1549 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P041-1549
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P041-1549
  • 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 P041-1549 available by request