4981-0384 Screening compound: 2-(4H-1,2,4-triazol-3-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide

4981-0384 Screening compound: 2-(4H-1,2,4-triazol-3-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide
4981-0384 Screening compound: 2-(4H-1,2,4-triazol-3-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4981-0384
2-(4H-1,2,4-triazol-3-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]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

4981-0384

Molecular Formula

C11H9F3N4OS (C11 H9 F3 N4 OS)

Compound Name

2-(4H-1,2,4-triazol-3-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide

IUPAC name

2-(4H-124-triazol-3-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide

SMILES

O=C(CSc1nnc[nH]1)Nc1c(C(F)(F)F)cccc1

InChI

InChI=1S/C11H9F3N4OS/c12-11(13,14)7-3-1-2-4-8(7)17-9(19)5-20-10-15-6-16-18-10/h1-4,6H,5H2,(H,17,19)(H,15,16,18)

InChI Key

ABVMIOMXIGXOOQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01799553

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.28

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

1.255

Distribution Coefficient, logD

0.900

Water Solubility, LogSw

-2.35

Polar Surface Area

56.844

Acid Dissociation Constant (pKa)

8.71

Base Dissociation Constant (pKb)

0.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

4981-0384 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4981-0384 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4981-0384?
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What is the minimum amount of 4981-0384 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4981-0384
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4981-0384
  • 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 4981-0384 available by request