8006-5073 Screening compound: 2-({7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl}sulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide

8006-5073 Screening compound: 2-({7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl}sulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
8006-5073 Screening compound: 2-({7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl}sulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-5073
2-({7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl}sulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-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

8006-5073

Molecular Formula

C9H11N9OS2 (C9 H11 N9 OS2)

Compound Name

2-({7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl}sulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide

IUPAC name

2-({7-amino-7H-[124]triazolo[43-b][124]triazol-3-yl}sulfanyl)-N-(5-ethyl-134-thiadiazol-2-yl)acetamide

SMILES

CCc1nnc(NC(CSc2nnc3n2ncn3N)=O)s1

InChI

InChI=1S/C9H11N9OS2/c1-2-6-13-14-7(21-6)12-5(19)3-20-9-16-15-8-17(10)4-11-18(8)9/h4H,2-3,10H2,1H3,(H,12,14,19)

InChI Key

DZVVEZLWKRTKIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00825471

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.397

Distribution Coefficient, logD

-0.445

Water Solubility, LogSw

-1.60

Polar Surface Area

101.732

Acid Dissociation Constant (pKa)

8.34

Base Dissociation Constant (pKb)

0.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

8006-5073 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 8006-5073 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-5073?
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What is the minimum amount of 8006-5073 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-5073
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-5073
  • 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 8006-5073 available by request