A0062377 Screening compound: 2-{[4-(2-methoxyphenyl)-5-{[2-(4-methoxyphenyl)acetamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide

A0062377 Screening compound: 2-{[4-(2-methoxyphenyl)-5-{[2-(4-methoxyphenyl)acetamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
A0062377 Screening compound: 2-{[4-(2-methoxyphenyl)-5-{[2-(4-methoxyphenyl)acetamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0062377
2-{[4-(2-methoxyphenyl)-5-{[2-(4-methoxyphenyl)acetamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(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

A0062377

Molecular Formula

C24H24N6O4S2 (C24 H24 N6 O4 S2)

Compound Name

2-{[4-(2-methoxyphenyl)-5-{[2-(4-methoxyphenyl)acetamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide

IUPAC name

2-{[4-(2-methoxyphenyl)-5-{[2-(4-methoxyphenyl)acetamido]methyl}-4H-124-triazol-3-yl]sulfanyl}-N-(13-thiazol-2-yl)acetamide

SMILES

COc1ccc(CC(NCc(n2-c(cccc3)c3OC)nnc2SCC(Nc2nccs2)=O)=O)cc1

InChI

InChI=1S/C24H24N6O4S2/c1-33-17-9-7-16(8-10-17)13-21(31)26-14-20-28-29-24(30(20)18-5-3-4-6-19(18)34-2)36-15-22(32)27-23-25-11-12-35-23/h3-12H,13-15H2,1-2H3,(H,26,31)(H,25,27,32)

InChI Key

YXAJNCQEMRDACR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02112544

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.62

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.404

Distribution Coefficient, logD

2.404

Water Solubility, LogSw

-2.73

Polar Surface Area

98.661

Acid Dissociation Constant (pKa)

10.41

Base Dissociation Constant (pKb)

4.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

A0062377 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 A0062377 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0062377?
Check Price and Availability of A0062377, 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 A0062377 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0062377
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0062377
  • 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 A0062377 available by request