8008-9989 Screening compound: {[5-(4-methylbenzoylsulfanyl)-2-sulfanylidene-2H-1,3-dithiol-4-yl]sulfanyl}(4-methylphenyl)methanone

8008-9989 Screening compound: {[5-(4-methylbenzoylsulfanyl)-2-sulfanylidene-2H-1,3-dithiol-4-yl]sulfanyl}(4-methylphenyl)methanone
8008-9989 Screening compound: {[5-(4-methylbenzoylsulfanyl)-2-sulfanylidene-2H-1,3-dithiol-4-yl]sulfanyl}(4-methylphenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-9989
{[5-(4-methylbenzoylsulfanyl)-2-sulfanylidene-2H-1,3-dithiol-4-yl]sulfanyl}(4-methylphenyl)methanone

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

8008-9989

Molecular Formula

C19H14O2S5 (C19 H14 O2 S5)

Compound Name

{[5-(4-methylbenzoylsulfanyl)-2-sulfanylidene-2H-1,3-dithiol-4-yl]sulfanyl}(4-methylphenyl)methanone

IUPAC name

{[5-(4-methylbenzoylsulfanyl)-2-sulfanylidene-2H-13-dithiol-4-yl]sulfanyl}(4-methylphenyl)methanone

SMILES

Cc(cc1)ccc1C(SC(S1)=C(SC(c2ccc(C)cc2)=O)SC1=S)=O

InChI

InChI=1S/C19H14O2S5/c1-11-3-7-13(8-4-11)15(20)23-17-18(26-19(22)25-17)24-16(21)14-9-5-12(2)6-10-14/h3-10H,1-2H3

InChI Key

JZHSWUVYWBCVEQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01142883

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.65

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

7.587

Distribution Coefficient, logD

7.587

Water Solubility, LogSw

-5.82

Polar Surface Area

26.797

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

8008-9989 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 8008-9989 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-9989?
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What is the minimum amount of 8008-9989 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-9989
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-9989
  • 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 8008-9989 available by request