0091-0077 Screening compound: 1-[(2-chloroethyl)sulfanyl]-4-({4-[(2-chloroethyl)sulfanyl]phenyl}sulfanyl)benzene

0091-0077 Screening compound: 1-[(2-chloroethyl)sulfanyl]-4-({4-[(2-chloroethyl)sulfanyl]phenyl}sulfanyl)benzene
0091-0077 Screening compound: 1-[(2-chloroethyl)sulfanyl]-4-({4-[(2-chloroethyl)sulfanyl]phenyl}sulfanyl)benzene alternative view

Chemical Structure Depiction of ChemDiv screening compound 0091-0077
1-[(2-chloroethyl)sulfanyl]-4-({4-[(2-chloroethyl)sulfanyl]phenyl}sulfanyl)benzene

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

0091-0077

Molecular Formula

C16H16Cl2S3 (C16 H16 Cl2 S3)

Compound Name

1-[(2-chloroethyl)sulfanyl]-4-({4-[(2-chloroethyl)sulfanyl]phenyl}sulfanyl)benzene

IUPAC name

1-[(2-chloroethyl)sulfanyl]-4-({4-[(2-chloroethyl)sulfanyl]phenyl}sulfanyl)benzene

SMILES

ClCCSc(cc1)ccc1Sc(cc1)ccc1SCCCl

InChI

InChI=1S/C16H16Cl2S3/c17-9-11-19-13-1-5-15(6-2-13)21-16-7-3-14(4-8-16)20-12-10-18/h1-8H,9-12H2

InChI Key

IXPFKDUZHGXEES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00406256

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

n/a

Partition Coefficient, logP

6.377

Distribution Coefficient, logD

6.377

Water Solubility, LogSw

-6.29

Polar Surface Area

0.000

Acid Dissociation Constant (pKa)

27.19

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

0091-0077 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 0091-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0091-0077?
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What is the minimum amount of 0091-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0091-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0091-0077
  • 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 0091-0077 available by request