F616-0269 Screening compound: N-[(2-methoxyphenyl)methyl]-4-{3-[(4-methoxyphenyl)sulfanyl]-6-oxo-1,6-dihydropyridazin-1-yl}benzamide

F616-0269 Screening compound: N-[(2-methoxyphenyl)methyl]-4-{3-[(4-methoxyphenyl)sulfanyl]-6-oxo-1,6-dihydropyridazin-1-yl}benzamide
F616-0269 Screening compound: N-[(2-methoxyphenyl)methyl]-4-{3-[(4-methoxyphenyl)sulfanyl]-6-oxo-1,6-dihydropyridazin-1-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F616-0269
N-[(2-methoxyphenyl)methyl]-4-{3-[(4-methoxyphenyl)sulfanyl]-6-oxo-1,6-dihydropyridazin-1-yl}benzamide

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

F616-0269

Molecular Formula

C26H23N3O4S (C26 H23 N3 O4 S)

Compound Name

N-[(2-methoxyphenyl)methyl]-4-{3-[(4-methoxyphenyl)sulfanyl]-6-oxo-1,6-dihydropyridazin-1-yl}benzamide

IUPAC name

N-[(2-methoxyphenyl)methyl]-4-{3-[(4-methoxyphenyl)sulfanyl]-6-oxo-16-dihydropyridazin-1-yl}benzamide

SMILES

COc(cc1)ccc1SC(C=C1)=NN(c(cc2)ccc2C(NCc(cccc2)c2OC)=O)C1=O

InChI

InChI=1S/C26H23N3O4S/c1-32-21-11-13-22(14-12-21)34-24-15-16-25(30)29(28-24)20-9-7-18(8-10-20)26(31)27-17-19-5-3-4-6-23(19)33-2/h3-16H,17H2,1-2H3,(H,27,31)

InChI Key

KLTKLRYWQLYSHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14961007

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.492

Distribution Coefficient, logD

4.492

Water Solubility, LogSw

-4.36

Polar Surface Area

67.135

Acid Dissociation Constant (pKa)

11.50

Base Dissociation Constant (pKb)

-1.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

F616-0269 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 F616-0269 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F616-0269?
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What is the minimum amount of F616-0269 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F616-0269
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F616-0269
  • 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 F616-0269 available by request