F616-0577 Screening compound: methyl 3-(4-{3-[(4-chlorophenyl)sulfanyl]-6-oxo-1,6-dihydropyridazin-1-yl}benzamido)thiophene-2-carboxylate

F616-0577 Screening compound: methyl 3-(4-{3-[(4-chlorophenyl)sulfanyl]-6-oxo-1,6-dihydropyridazin-1-yl}benzamido)thiophene-2-carboxylate
F616-0577 Screening compound: methyl 3-(4-{3-[(4-chlorophenyl)sulfanyl]-6-oxo-1,6-dihydropyridazin-1-yl}benzamido)thiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F616-0577
methyl 3-(4-{3-[(4-chlorophenyl)sulfanyl]-6-oxo-1,6-dihydropyridazin-1-yl}benzamido)thiophene-2-carboxylate

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

F616-0577

Molecular Formula

C23H16ClN3O4S2 (C23 H16 ClN3 O4 S2)

Compound Name

methyl 3-(4-{3-[(4-chlorophenyl)sulfanyl]-6-oxo-1,6-dihydropyridazin-1-yl}benzamido)thiophene-2-carboxylate

IUPAC name

methyl 3-(4-{3-[(4-chlorophenyl)sulfanyl]-6-oxo-16-dihydropyridazin-1-yl}benzamido)thiophene-2-carboxylate

SMILES

COC(c(scc1)c1NC(c(cc1)ccc1N(C(C=C1)=O)N=C1Sc(cc1)ccc1Cl)=O)=O

InChI

InChI=1S/C23H16ClN3O4S2/c1-31-23(30)21-18(12-13-32-21)25-22(29)14-2-6-16(7-3-14)27-20(28)11-10-19(26-27)33-17-8-4-15(24)5-9-17/h2-13H,1H3,(H,25,29)

InChI Key

JZYUZCGTTMIXBG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14961074

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.98

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.834

Distribution Coefficient, logD

4.115

Water Solubility, LogSw

-5.00

Polar Surface Area

72.133

Acid Dissociation Constant (pKa)

6.77

Base Dissociation Constant (pKb)

-1.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

F616-0577 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 F616-0577 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F616-0577?
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What is the minimum amount of F616-0577 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F616-0577
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F616-0577
  • 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 F616-0577 available by request