4497-0031 Screening compound: 2-[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide

4497-0031 Screening compound: 2-[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide
4497-0031 Screening compound: 2-[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4497-0031
2-[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylphenyl)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

4497-0031

Molecular Formula

C13H16N4OS (C13 H16 N4 OS)

Compound Name

2-[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide

IUPAC name

2-[(5-ethyl-4H-124-triazol-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide

SMILES

CCc([nH]1)nnc1SCC(Nc1cc(C)ccc1)=O

InChI

InChI=1S/C13H16N4OS/c1-3-11-15-13(17-16-11)19-8-12(18)14-10-6-4-5-9(2)7-10/h4-7H,3,8H2,1-2H3,(H,14,18)(H,15,16,17)

InChI Key

BDQIGMTZFDGCGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02872792

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

276.36

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

1.961

Distribution Coefficient, logD

1.632

Water Solubility, LogSw

-2.62

Polar Surface Area

56.885

Acid Dissociation Constant (pKa)

8.49

Base Dissociation Constant (pKb)

4.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

4497-0031 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 4497-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4497-0031?
Check Price and Availability of 4497-0031, 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 4497-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4497-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4497-0031
  • 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 4497-0031 available by request