5586-2133 Screening compound: 4-(2-methoxyphenyl)-1-sulfanyl-7,8-dihydro-6H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

5586-2133 Screening compound: 4-(2-methoxyphenyl)-1-sulfanyl-7,8-dihydro-6H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
5586-2133 Screening compound: 4-(2-methoxyphenyl)-1-sulfanyl-7,8-dihydro-6H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5586-2133
4-(2-methoxyphenyl)-1-sulfanyl-7,8-dihydro-6H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

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

5586-2133

Molecular Formula

C17H14N4O2S2 (C17 H14 N4 O2 S2)

Compound Name

4-(2-methoxyphenyl)-1-sulfanyl-7,8-dihydro-6H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

IUPAC name

7-(2-methoxyphenyl)-3-sulfanyl-15-thia-2457-tetraazatetracyclo[7.6.0.0^{26}.0^{1014}]pentadeca-1(9)3510(14)-tetraen-8-one

SMILES

COc(cccc1)c1N(c(n1-c2c3c(CCC4)c4s2)nnc1S)C3=O

InChI

InChI=1S/C17H14N4O2S2/c1-23-11-7-3-2-6-10(11)20-14(22)13-9-5-4-8-12(9)25-15(13)21-16(20)18-19-17(21)24/h2-3,6-7H,4-5,8H2,1H3,(H,19,24)

InChI Key

TVIXPNHUXDUSQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02237681

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.756

Distribution Coefficient, logD

1.537

Water Solubility, LogSw

-3.22

Polar Surface Area

45.513

Acid Dissociation Constant (pKa)

6.21

Base Dissociation Constant (pKb)

-0.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

5586-2133 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Anti-HIV1 Library (19540 compounds)

Carbonic Anhydrase II Library (4939 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 5586-2133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5586-2133?
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What is the minimum amount of 5586-2133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5586-2133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5586-2133
  • 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 5586-2133 available by request