8008-0569 Screening compound: 2-({7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl}sulfanyl)-N-(4-sulfamoylphenyl)acetamide

8008-0569 Screening compound: 2-({7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl}sulfanyl)-N-(4-sulfamoylphenyl)acetamide
8008-0569 Screening compound: 2-({7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl}sulfanyl)-N-(4-sulfamoylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-0569
2-({7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl}sulfanyl)-N-(4-sulfamoylphenyl)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

8008-0569

Molecular Formula

C11H12N8O3S2 (C11 H12 N8 O3 S2)

Compound Name

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

IUPAC name

2-({7-amino-7H-[124]triazolo[43-b][124]triazol-3-yl}sulfanyl)-N-(4-sulfamoylphenyl)acetamide

SMILES

Nn(cnn12)c2nnc1SCC(Nc(cc1)ccc1S(N)(=O)=O)=O

InChI

InChI=1S/C11H12N8O3S2/c12-18-6-14-19-10(18)16-17-11(19)23-5-9(20)15-7-1-3-8(4-2-7)24(13,21)22/h1-4,6H,5,12H2,(H,15,20)(H2,13,21,22)

InChI Key

VFMKBDYBRGDFIB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01305697

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.4

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

-1.628

Distribution Coefficient, logD

-1.629

Water Solubility, LogSw

-1.93

Polar Surface Area

128.295

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

0.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

8008-0569 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 8008-0569 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-0569?
Check Price and Availability of 8008-0569, 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 8008-0569 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-0569
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-0569
  • 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 8008-0569 available by request