5918-1021 Screening compound: 2-{[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide

5918-1021 Screening compound: 2-{[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
5918-1021 Screening compound: 2-{[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5918-1021
2-{[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)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

5918-1021

Molecular Formula

C16H12ClFN4OS (C16 H12 ClFN4 OS)

Compound Name

2-{[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide

IUPAC name

2-{[5-(2-chlorophenyl)-1H-124-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide

SMILES

O=C(CSc1n[nH]c(-c(cccc2)c2Cl)n1)Nc(cccc1)c1F

InChI

InChI=1S/C16H12ClFN4OS/c17-11-6-2-1-5-10(11)15-20-16(22-21-15)24-9-14(23)19-13-8-4-3-7-12(13)18/h1-8H,9H2,(H,19,23)(H,20,21,22)

InChI Key

MPDBHYJFGGLYDC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03674587

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.81

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.756

Distribution Coefficient, logD

3.694

Water Solubility, LogSw

-4.30

Polar Surface Area

54.925

Acid Dissociation Constant (pKa)

4.73

Base Dissociation Constant (pKb)

-0.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

5918-1021 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Human Phosphatases Annotated Library (206 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 5918-1021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5918-1021?
Check Price and Availability of 5918-1021, 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 5918-1021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5918-1021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5918-1021
  • 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 5918-1021 available by request