F809-0114 Screening compound: methyl 4-{2-[3-(4-chlorobenzenesulfonyl)-6-oxo-1,6-dihydropyridazin-1-yl]acetamido}benzoate

F809-0114 Screening compound: methyl 4-{2-[3-(4-chlorobenzenesulfonyl)-6-oxo-1,6-dihydropyridazin-1-yl]acetamido}benzoate
F809-0114 Screening compound: methyl 4-{2-[3-(4-chlorobenzenesulfonyl)-6-oxo-1,6-dihydropyridazin-1-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F809-0114
methyl 4-{2-[3-(4-chlorobenzenesulfonyl)-6-oxo-1,6-dihydropyridazin-1-yl]acetamido}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

F809-0114

Molecular Formula

C20H16ClN3O6S (C20 H16 ClN3 O6 S)

Compound Name

methyl 4-{2-[3-(4-chlorobenzenesulfonyl)-6-oxo-1,6-dihydropyridazin-1-yl]acetamido}benzoate

IUPAC name

methyl 4-{2-[3-(4-chlorobenzenesulfonyl)-6-oxo-16-dihydropyridazin-1-yl]acetamido}benzoate

SMILES

COC(c(cc1)ccc1NC(CN(C(C=C1)=O)N=C1S(c(cc1)ccc1Cl)(=O)=O)=O)=O

InChI

InChI=1S/C20H16ClN3O6S/c1-30-20(27)13-2-6-15(7-3-13)22-17(25)12-24-19(26)11-10-18(23-24)31(28,29)16-8-4-14(21)5-9-16/h2-11H,12H2,1H3,(H,22,25)

InChI Key

VFSXCNCUIJFJKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27192599

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.88

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.876

Distribution Coefficient, logD

2.875

Water Solubility, LogSw

-3.69

Polar Surface Area

102.426

Acid Dissociation Constant (pKa)

11.39

Base Dissociation Constant (pKb)

-1.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with F809-0114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F809-0114?
Check Price and Availability of F809-0114, 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 F809-0114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F809-0114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F809-0114
  • 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 F809-0114 available by request