6481-8130 Screening compound: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-phenyl-1,2,4-thiadiazol-3-yl)acetamide

6481-8130 Screening compound: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-phenyl-1,2,4-thiadiazol-3-yl)acetamide
6481-8130 Screening compound: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-phenyl-1,2,4-thiadiazol-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6481-8130
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-phenyl-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

6481-8130

Molecular Formula

C12H11N7OS2 (C12 H11 N7 OS2)

Compound Name

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

IUPAC name

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

SMILES

Nc1nc(SCC(Nc2nsc(-c3ccccc3)n2)=O)n[nH]1

InChI

InChI=1S/C12H11N7OS2/c13-10-16-12(18-17-10)21-6-8(20)14-11-15-9(22-19-11)7-4-2-1-3-5-7/h1-5H,6H2,(H,14,19,20)(H3,13,16,17,18)

InChI Key

WGJFUTRSUUGWNV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04217876

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.4

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

1.886

Distribution Coefficient, logD

1.885

Water Solubility, LogSw

-2.48

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

6481-8130 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 6481-8130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6481-8130?
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What is the minimum amount of 6481-8130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6481-8130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6481-8130
  • 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 6481-8130 available by request