8011-1955 Screening compound: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1H-1,2,4-triazole-3-carboxamide

8011-1955 Screening compound: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1H-1,2,4-triazole-3-carboxamide
8011-1955 Screening compound: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1H-1,2,4-triazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-1955
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1H-1,2,4-triazole-3-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

8011-1955

Molecular Formula

C7H8N6OS (C7 H8 N6 OS)

Compound Name

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1H-1,2,4-triazole-3-carboxamide

IUPAC name

N-(5-ethyl-134-thiadiazol-2-yl)-1H-124-triazole-3-carboxamide

SMILES

CCc1nnc(NC(c2n[nH]cn2)=O)s1

InChI

InChI=1S/C7H8N6OS/c1-2-4-11-13-7(15-4)10-6(14)5-8-3-9-12-5/h3H,2H2,1H3,(H,8,9,12)(H,10,13,14)

InChI Key

XXJVOUZLQZHVMA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00469953

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

224.25

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.430

Distribution Coefficient, logD

-0.011

Water Solubility, LogSw

-2.09

Polar Surface Area

83.073

Acid Dissociation Constant (pKa)

7.15

Base Dissociation Constant (pKb)

-2.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

8011-1955 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Kinases
  • Proteases

References: we are preparing a list of scientific research reports with 8011-1955 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-1955?
Check Price and Availability of 8011-1955, 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 8011-1955 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-1955
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-1955
  • 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 8011-1955 available by request