8538-0157 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylic acid

8538-0157 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylic acid
8538-0157 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8538-0157
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(5-amino-1,3,4-thiadiazol-2-yl)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

8538-0157

Molecular Formula

C8H7N9O3S2 (C8 H7 N9 O3 S2)

Compound Name

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

IUPAC name

1-(4-amino-125-oxadiazol-3-yl)-5-{[(5-amino-134-thiadiazol-2-yl)sulfanyl]methyl}-1H-123-triazole-4-carboxylic acid

SMILES

Nc1nonc1-n1nnc(C(O)=O)c1CSc1nnc(N)s1

InChI

InChI=1S/C8H7N9O3S2/c9-4-5(15-20-14-4)17-2(3(6(18)19)11-16-17)1-21-8-13-12-7(10)22-8/h1H2,(H2,9,14)(H2,10,12)(H,18,19)

InChI Key

WDEVHJWLOQODBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08095556

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.33

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

-0.538

Distribution Coefficient, logD

-6.556

Water Solubility, LogSw

-0.45

Polar Surface Area

154.639

Acid Dissociation Constant (pKa)

1.38

Base Dissociation Constant (pKb)

0.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8538-0157 in Drug Discovery

Included in Screening Libraries

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8538-0157 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8538-0157?
Check Price and Availability of 8538-0157, 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 8538-0157 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8538-0157
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8538-0157
  • 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 8538-0157 available by request