F616-0608 Screening compound: 4-[3-[(4-chlorophenyl)sulfanyl]-6-oxo-1(6H)-pyridazinyl]-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)benzamide

F616-0608 Screening compound: 4-[3-[(4-chlorophenyl)sulfanyl]-6-oxo-1(6H)-pyridazinyl]-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)benzamide
F616-0608 Screening compound: 4-[3-[(4-chlorophenyl)sulfanyl]-6-oxo-1(6H)-pyridazinyl]-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F616-0608
4-[3-[(4-chlorophenyl)sulfanyl]-6-oxo-1(6H)-pyridazinyl]-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-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

F616-0608

Molecular Formula

C21H18ClN3O4S2 (C21 H18 ClN3 O4 S2)

Compound Name

4-[3-[(4-chlorophenyl)sulfanyl]-6-oxo-1(6H)-pyridazinyl]-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)benzamide

IUPAC name

4-{3-[(4-chlorophenyl)sulfanyl]-6-oxo-16-dihydropyridazin-1-yl}-N-(11-dioxo-1lambda6-thiolan-3-yl)benzamide

SMILES

O=C(c(cc1)ccc1N(C(C=C1)=O)N=C1Sc(cc1)ccc1Cl)NC(CC1)CS1(=O)=O

InChI

InChI=1S/C21H18ClN3O4S2/c22-15-3-7-18(8-4-15)30-19-9-10-20(26)25(24-19)17-5-1-14(2-6-17)21(27)23-16-11-12-31(28,29)13-16/h1-10,16H,11-13H2,(H,23,27)/t16-/m0/s1

InChI Key

NRBORIKQJGJLGQ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14961092

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.98

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.573

Distribution Coefficient, logD

2.573

Water Solubility, LogSw

-3.51

Polar Surface Area

80.124

Acid Dissociation Constant (pKa)

14.23

Base Dissociation Constant (pKb)

-1.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

F616-0608 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F616-0608 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F616-0608?
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What is the minimum amount of F616-0608 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F616-0608
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F616-0608
  • 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 F616-0608 available by request