F616-0598 Screening compound: N-butyl-4-{3-[(4-chlorophenyl)sulfanyl]-6-oxo-1,6-dihydropyridazin-1-yl}benzamide

F616-0598 Screening compound: N-butyl-4-{3-[(4-chlorophenyl)sulfanyl]-6-oxo-1,6-dihydropyridazin-1-yl}benzamide
F616-0598 Screening compound: N-butyl-4-{3-[(4-chlorophenyl)sulfanyl]-6-oxo-1,6-dihydropyridazin-1-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F616-0598
N-butyl-4-{3-[(4-chlorophenyl)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

F616-0598

Molecular Formula

C21H20ClN3O2S (C21 H20 ClN3 O2 S)

Compound Name

N-butyl-4-{3-[(4-chlorophenyl)sulfanyl]-6-oxo-1,6-dihydropyridazin-1-yl}benzamide

IUPAC name

N-butyl-4-{3-[(4-chlorophenyl)sulfanyl]-6-oxo-16-dihydropyridazin-1-yl}benzamide

SMILES

CCCCNC(c(cc1)ccc1N(C(C=C1)=O)N=C1Sc(cc1)ccc1Cl)=O

InChI

InChI=1S/C21H20ClN3O2S/c1-2-3-14-23-21(27)15-4-8-17(9-5-15)25-20(26)13-12-19(24-25)28-18-10-6-16(22)7-11-18/h4-13H,2-3,14H2,1H3,(H,23,27)

InChI Key

GXCYSMVOZGIFFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14961087

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.93

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.696

Distribution Coefficient, logD

4.696

Water Solubility, LogSw

-4.85

Polar Surface Area

52.074

Acid Dissociation Constant (pKa)

13.35

Base Dissociation Constant (pKb)

-1.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with F616-0598 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F616-0598?
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What is the minimum amount of F616-0598 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F616-0598
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F616-0598
  • 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 F616-0598 available by request