8009-8244 Screening compound: 2-({7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl}sulfanyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide

8009-8244 Screening compound: 2-({7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl}sulfanyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
8009-8244 Screening compound: 2-({7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl}sulfanyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-8244
2-({7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl}sulfanyl)-N-(6-methoxy-1,3-benzothiazol-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

8009-8244

Molecular Formula

C13H12N8O2S2 (C13 H12 N8 O2 S2)

Compound Name

2-({7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl}sulfanyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide

IUPAC name

2-({7-amino-7H-[124]triazolo[43-b][124]triazol-3-yl}sulfanyl)-N-(6-methoxy-13-benzothiazol-2-yl)acetamide

SMILES

COc(cc1)cc2c1nc(NC(CSc1nnc3n1ncn3N)=O)s2

InChI

InChI=1S/C13H12N8O2S2/c1-23-7-2-3-8-9(4-7)25-11(16-8)17-10(22)5-24-13-19-18-12-20(14)6-15-21(12)13/h2-4,6H,5,14H2,1H3,(H,16,17,22)

InChI Key

UDOLFJXAKYPDLH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01820568

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.42

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

0.838

Distribution Coefficient, logD

0.838

Water Solubility, LogSw

-2.37

Polar Surface Area

94.997

Acid Dissociation Constant (pKa)

11.71

Base Dissociation Constant (pKb)

0.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

8009-8244 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 8009-8244 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8009-8244 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-8244
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-8244
  • 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 8009-8244 available by request