8010-2212 Screening compound: 1-(4-chlorophenyl)-2-[(5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-2-sulfanylidene-2H-1,3-dithiol-4-yl)sulfanyl]ethan-1-one

8010-2212 Screening compound: 1-(4-chlorophenyl)-2-[(5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-2-sulfanylidene-2H-1,3-dithiol-4-yl)sulfanyl]ethan-1-one
8010-2212 Screening compound: 1-(4-chlorophenyl)-2-[(5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-2-sulfanylidene-2H-1,3-dithiol-4-yl)sulfanyl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-2212
1-(4-chlorophenyl)-2-[(5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-2-sulfanylidene-2H-1,3-dithiol-4-yl)sulfanyl]ethan-1-one

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

8010-2212

Molecular Formula

C19H12Cl2O2S5 (C19 H12 Cl2 O2 S5)

Compound Name

1-(4-chlorophenyl)-2-[(5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-2-sulfanylidene-2H-1,3-dithiol-4-yl)sulfanyl]ethan-1-one

IUPAC name

1-(4-chlorophenyl)-2-[(5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-2-sulfanylidene-2H-13-dithiol-4-yl)sulfanyl]ethan-1-one

SMILES

O=C(CSC(S1)=C(SCC(c(cc2)ccc2Cl)=O)SC1=S)c(cc1)ccc1Cl

InChI

InChI=1S/C19H12Cl2O2S5/c20-13-5-1-11(2-6-13)15(22)9-25-17-18(28-19(24)27-17)26-10-16(23)12-3-7-14(21)8-4-12/h1-8H,9-10H2

InChI Key

HBSYLFOXHZLIIW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01142884

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

7.005

Distribution Coefficient, logD

7.005

Water Solubility, LogSw

-6.66

Polar Surface Area

26.747

Acid Dissociation Constant (pKa)

25.58

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

8010-2212 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8010-2212 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-2212?
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What is the minimum amount of 8010-2212 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-2212
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-2212
  • 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 8010-2212 available by request