3698-0258 Screening compound: N-(4-chlorophenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide

3698-0258 Screening compound: N-(4-chlorophenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
3698-0258 Screening compound: N-(4-chlorophenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3698-0258
N-(4-chlorophenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]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

3698-0258

Molecular Formula

C11H11ClN4OS (C11 H11 ClN4 OS)

Compound Name

N-(4-chlorophenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide

IUPAC name

N-(4-chlorophenyl)-2-[(4-methyl-4H-124-triazol-3-yl)sulfanyl]acetamide

SMILES

Cn1c(SCC(Nc(cc2)ccc2Cl)=O)nnc1

InChI

InChI=1S/C11H11ClN4OS/c1-16-7-13-15-11(16)18-6-10(17)14-9-4-2-8(12)3-5-9/h2-5,7H,6H2,1H3,(H,14,17)

InChI Key

UACCVUXRZKBTIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02221656

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

282.75

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.790

Distribution Coefficient, logD

1.790

Water Solubility, LogSw

-2.84

Polar Surface Area

48.882

Acid Dissociation Constant (pKa)

11.00

Base Dissociation Constant (pKb)

3.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

3698-0258 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-infective Library (19449 compounds)

Antiparasite Library (23996 compounds)

Dark Chemical Matter Library (18430 compounds)

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases
Agro:
  • Agro
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 3698-0258 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3698-0258?
Check Price and Availability of 3698-0258, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3698-0258 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3698-0258
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3698-0258
  • 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 3698-0258 available by request