A0062194 Screening compound: N-{[5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]methyl}thiophene-2-carboxamide

A0062194 Screening compound: N-{[5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]methyl}thiophene-2-carboxamide
A0062194 Screening compound: N-{[5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]methyl}thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0062194
N-{[5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]methyl}thiophene-2-carboxamide

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

A0062194

Molecular Formula

C20H15F3N6O2S3 (C20 H15 F3 N6 O2 S3)

Compound Name

N-{[5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]methyl}thiophene-2-carboxamide

IUPAC name

N-{[5-({[(13-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4-[3-(trifluoromethyl)phenyl]-4H-124-triazol-3-yl]methyl}thiophene-2-carboxamide

SMILES

O=C(CSc1nnc(CNC(c2cccs2)=O)n1-c1cc(C(F)(F)F)ccc1)Nc1nccs1

InChI

InChI=1S/C20H15F3N6O2S3/c21-20(22,23)12-3-1-4-13(9-12)29-15(10-25-17(31)14-5-2-7-32-14)27-28-19(29)34-11-16(30)26-18-24-6-8-33-18/h1-9H,10-11H2,(H,25,31)(H,24,26,30)

InChI Key

JEQWCIVOJKVTGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02088091

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.420

Distribution Coefficient, logD

3.420

Water Solubility, LogSw

-3.87

Polar Surface Area

85.020

Acid Dissociation Constant (pKa)

10.41

Base Dissociation Constant (pKb)

0.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

A0062194 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with A0062194 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0062194?
Check Price and Availability of A0062194, 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 A0062194 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0062194
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0062194
  • 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 A0062194 available by request