8009-7121 Screening compound: 2-({7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl}sulfanyl)-N-(5-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)acetamide

8009-7121 Screening compound: 2-({7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl}sulfanyl)-N-(5-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)acetamide
8009-7121 Screening compound: 2-({7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl}sulfanyl)-N-(5-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-7121
2-({7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl}sulfanyl)-N-(5-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}-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

8009-7121

Molecular Formula

C21H16N10O2S4 (C21 H16 N10 O2 S4)

Compound Name

2-({7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl}sulfanyl)-N-(5-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)acetamide

IUPAC name

2-({7-amino-7H-[124]triazolo[43-b][124]triazol-3-yl}sulfanyl)-N-(5-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}-134-thiadiazol-2-yl)acetamide

SMILES

Nn(cnn12)c2nnc1SCC(Nc1nnc(SCC(N2c(cccc3)c3Sc3c2cccc3)=O)s1)=O

InChI

InChI=1S/C21H16N10O2S4/c22-29-11-23-31-19(29)26-27-20(31)34-9-16(32)24-18-25-28-21(37-18)35-10-17(33)30-12-5-1-3-7-14(12)36-15-8-4-2-6-13(15)30/h1-8,11H,9-10,22H2,(H,24,25,32)

InChI Key

PPSCDSKQIQTPDI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01819827

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

568.69

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

2.345

Distribution Coefficient, logD

2.344

Water Solubility, LogSw

-2.78

Polar Surface Area

113.702

Acid Dissociation Constant (pKa)

9.95

Base Dissociation Constant (pKb)

0.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

8009-7121 in Drug Discovery

Included in Screening Libraries

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

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 8009-7121 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8009-7121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-7121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-7121
  • 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 8009-7121 available by request