F019-2642 Screening compound: 2-{[5-(1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide

F019-2642 Screening compound: 2-{[5-(1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
F019-2642 Screening compound: 2-{[5-(1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F019-2642
2-{[5-(1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4,5-dimethyl-1,3-thiazol-2-yl)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

F019-2642

Molecular Formula

C20H19N5O2S2 (C20 H19 N5 O2 S2)

Compound Name

2-{[5-(1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide

IUPAC name

2-{[5-(1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-124-triazol-3-yl]sulfanyl}-N-(45-dimethyl-13-thiazol-2-yl)acetamide

SMILES

Cc1c(C)sc(NC(CSc2nnc(-c3cc(cccc4)c4o3)n2CC=C)=O)n1

InChI

InChI=1S/C20H19N5O2S2/c1-4-9-25-18(16-10-14-7-5-6-8-15(14)27-16)23-24-20(25)28-11-17(26)22-19-21-12(2)13(3)29-19/h4-8,10H,1,9,11H2,2-3H3,(H,21,22,26)

InChI Key

NWWUTNJQSBGSGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07399560

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.630

Distribution Coefficient, logD

4.562

Water Solubility, LogSw

-5.01

Polar Surface Area

66.285

Acid Dissociation Constant (pKa)

8.17

Base Dissociation Constant (pKb)

1.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

F019-2642 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with F019-2642 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F019-2642?
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What is the minimum amount of F019-2642 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F019-2642
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F019-2642
  • 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 F019-2642 available by request