8538-0144 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylic acid

8538-0144 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylic acid
8538-0144 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8538-0144
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylic acid

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

8538-0144

Molecular Formula

C12H9ClN6O3S (C12 H9 ClN6 O3 S)

Compound Name

1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylic acid

IUPAC name

1-(4-amino-125-oxadiazol-3-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-1H-123-triazole-4-carboxylic acid

SMILES

Nc1nonc1-n1nnc(C(O)=O)c1CSc(cc1)ccc1Cl

InChI

InChI=1S/C12H9ClN6O3S/c13-6-1-3-7(4-2-6)23-5-8-9(12(20)21)15-18-19(8)11-10(14)16-22-17-11/h1-4H,5H2,(H2,14,16)(H,20,21)

InChI Key

ZWDGEPYABVXDDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07641989

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.76

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.969

Distribution Coefficient, logD

-4.049

Water Solubility, LogSw

-2.53

Polar Surface Area

110.976

Acid Dissociation Constant (pKa)

1.38

Base Dissociation Constant (pKb)

-0.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

8538-0144 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8538-0144 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8538-0144?
Check Price and Availability of 8538-0144, 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 8538-0144 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8538-0144
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8538-0144
  • 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 8538-0144 available by request