6481-5071 Screening compound: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]acetamide

6481-5071 Screening compound: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]acetamide
6481-5071 Screening compound: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6481-5071
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-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

6481-5071

Molecular Formula

C12H10ClN7OS2 (C12 H10 ClN7 OS2)

Compound Name

2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]acetamide

IUPAC name

2-[(5-amino-1H-124-triazol-3-yl)sulfanyl]-N-[5-(4-chlorophenyl)-124-thiadiazol-3-yl]acetamide

SMILES

Nc1nc(SCC(Nc2nsc(-c(cc3)ccc3Cl)n2)=O)n[nH]1

InChI

InChI=1S/C12H10ClN7OS2/c13-7-3-1-6(2-4-7)9-16-11(20-23-9)15-8(21)5-22-12-17-10(14)18-19-12/h1-4H,5H2,(H,15,20,21)(H3,14,17,18,19)

InChI Key

HJANQXUVUDIBKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04092704

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.84

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.586

Distribution Coefficient, logD

2.585

Water Solubility, LogSw

-3.51

Polar Surface Area

98.042

Acid Dissociation Constant (pKa)

9.84

Base Dissociation Constant (pKb)

3.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

6481-5071 in Drug Discovery

Included in Screening Libraries

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6481-5071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6481-5071?
Check Price and Availability of 6481-5071, 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 6481-5071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6481-5071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6481-5071
  • 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 6481-5071 available by request