F809-0121 Screening compound: ethyl 2-{2-[3-(4-chlorobenzenesulfonyl)-6-oxo-1,6-dihydropyridazin-1-yl]acetamido}benzoate

F809-0121 Screening compound: ethyl 2-{2-[3-(4-chlorobenzenesulfonyl)-6-oxo-1,6-dihydropyridazin-1-yl]acetamido}benzoate
F809-0121 Screening compound: ethyl 2-{2-[3-(4-chlorobenzenesulfonyl)-6-oxo-1,6-dihydropyridazin-1-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F809-0121
ethyl 2-{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

F809-0121

Molecular Formula

C21H18ClN3O6S (C21 H18 ClN3 O6 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c(cccc1)c1NC(CN(C(C=C1)=O)N=C1S(c(cc1)ccc1Cl)(=O)=O)=O)=O

InChI

InChI=1S/C21H18ClN3O6S/c1-2-31-21(28)16-5-3-4-6-17(16)23-18(26)13-25-20(27)12-11-19(24-25)32(29,30)15-9-7-14(22)8-10-15/h3-12H,2,13H2,1H3,(H,23,26)

InChI Key

HWIDZJWJIXSFPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27192606

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.91

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.053

Distribution Coefficient, logD

3.046

Water Solubility, LogSw

-3.76

Polar Surface Area

101.308

Acid Dissociation Constant (pKa)

9.18

Base Dissociation Constant (pKb)

-2.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

F809-0121 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 F809-0121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F809-0121?
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What is the minimum amount of F809-0121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F809-0121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F809-0121
  • 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 F809-0121 available by request