F616-0590 Screening compound: 4-{3-[(4-chlorophenyl)sulfanyl]-6-oxo-1,6-dihydropyridazin-1-yl}-N-(2-methoxy-5-methylphenyl)benzamide

F616-0590 Screening compound: 4-{3-[(4-chlorophenyl)sulfanyl]-6-oxo-1,6-dihydropyridazin-1-yl}-N-(2-methoxy-5-methylphenyl)benzamide
F616-0590 Screening compound: 4-{3-[(4-chlorophenyl)sulfanyl]-6-oxo-1,6-dihydropyridazin-1-yl}-N-(2-methoxy-5-methylphenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F616-0590
4-{3-[(4-chlorophenyl)sulfanyl]-6-oxo-1,6-dihydropyridazin-1-yl}-N-(2-methoxy-5-methylphenyl)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

F616-0590

Molecular Formula

C25H20ClN3O3S (C25 H20 ClN3 O3 S)

Compound Name

4-{3-[(4-chlorophenyl)sulfanyl]-6-oxo-1,6-dihydropyridazin-1-yl}-N-(2-methoxy-5-methylphenyl)benzamide

IUPAC name

4-{3-[(4-chlorophenyl)sulfanyl]-6-oxo-16-dihydropyridazin-1-yl}-N-(2-methoxy-5-methylphenyl)benzamide

SMILES

Cc(cc1)cc(NC(c(cc2)ccc2N(C(C=C2)=O)N=C2Sc(cc2)ccc2Cl)=O)c1OC

InChI

InChI=1S/C25H20ClN3O3S/c1-16-3-12-22(32-2)21(15-16)27-25(31)17-4-8-19(9-5-17)29-24(30)14-13-23(28-29)33-20-10-6-18(26)7-11-20/h3-15H,1-2H3,(H,27,31)

InChI Key

AZZRJYJVDBENOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14961082

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.97

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.252

Distribution Coefficient, logD

5.251

Water Solubility, LogSw

-5.86

Polar Surface Area

57.572

Acid Dissociation Constant (pKa)

9.75

Base Dissociation Constant (pKb)

-0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

F616-0590 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with F616-0590 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F616-0590?
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What is the minimum amount of F616-0590 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F616-0590
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F616-0590
  • 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 F616-0590 available by request