1068-0114 Screening compound: N~1~-(4-chloro-3-methylphenyl)-2-(phenylsulfanyl)acetamide

1068-0114 Screening compound: N~1~-(4-chloro-3-methylphenyl)-2-(phenylsulfanyl)acetamide
1068-0114 Screening compound: N~1~-(4-chloro-3-methylphenyl)-2-(phenylsulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1068-0114
N~1~-(4-chloro-3-methylphenyl)-2-(phenylsulfanyl)acetamide

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

1068-0114

Molecular Formula

C15H14ClNOS (C15 H14 ClNOS)

Compound Name

N~1~-(4-chloro-3-methylphenyl)-2-(phenylsulfanyl)acetamide

IUPAC name

N-(4-chloro-3-methylphenyl)-2-(phenylsulfanyl)acetamide

SMILES

Cc(cc(cc1)NC(CSc2ccccc2)=O)c1Cl

InChI

InChI=1S/C15H14ClNOS/c1-11-9-12(7-8-14(11)16)17-15(18)10-19-13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H,17,18)

InChI Key

QUERUSBVQLFYFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00693231

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.8

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.552

Distribution Coefficient, logD

4.552

Water Solubility, LogSw

-4.54

Polar Surface Area

23.116

Acid Dissociation Constant (pKa)

11.05

Base Dissociation Constant (pKb)

-0.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.33

1068-0114 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 1068-0114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1068-0114?
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What is the minimum amount of 1068-0114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1068-0114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1068-0114
  • 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 1068-0114 available by request