F443-0042 Screening compound: methyl 2-(4-{3-[(4-chlorophenyl)methoxy]-6-oxo-1,6-dihydropyridazin-1-yl}benzamido)benzoate

F443-0042 Screening compound: methyl 2-(4-{3-[(4-chlorophenyl)methoxy]-6-oxo-1,6-dihydropyridazin-1-yl}benzamido)benzoate
F443-0042 Screening compound: methyl 2-(4-{3-[(4-chlorophenyl)methoxy]-6-oxo-1,6-dihydropyridazin-1-yl}benzamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F443-0042
methyl 2-(4-{3-[(4-chlorophenyl)methoxy]-6-oxo-1,6-dihydropyridazin-1-yl}benzamido)benzoate

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

F443-0042

Molecular Formula

C26H20ClN3O5 (C26 H20 ClN3 O5)

Compound Name

methyl 2-(4-{3-[(4-chlorophenyl)methoxy]-6-oxo-1,6-dihydropyridazin-1-yl}benzamido)benzoate

IUPAC name

methyl 2-(4-{3-[(4-chlorophenyl)methoxy]-6-oxo-16-dihydropyridazin-1-yl}benzamido)benzoate

SMILES

COC(c(cccc1)c1NC(c(cc1)ccc1N(C(C=C1)=O)N=C1OCc(cc1)ccc1Cl)=O)=O

InChI

InChI=1S/C26H20ClN3O5/c1-34-26(33)21-4-2-3-5-22(21)28-25(32)18-8-12-20(13-9-18)30-24(31)15-14-23(29-30)35-16-17-6-10-19(27)11-7-17/h2-15H,16H2,1H3,(H,28,32)

InChI Key

CAJPTAMOALGZKL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27129017

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.91

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.525

Distribution Coefficient, logD

4.051

Water Solubility, LogSw

-4.87

Polar Surface Area

79.280

Acid Dissociation Constant (pKa)

7.10

Base Dissociation Constant (pKb)

-0.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

F443-0042 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F443-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F443-0042?
Check Price and Availability of F443-0042, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of F443-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F443-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F443-0042
  • 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 F443-0042 available by request