8019-5930 Screening compound: 4-(3-chlorophenyl)-7,8-dihydro-6H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

8019-5930 Screening compound: 4-(3-chlorophenyl)-7,8-dihydro-6H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
8019-5930 Screening compound: 4-(3-chlorophenyl)-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 8019-5930
4-(3-chlorophenyl)-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

8019-5930

Molecular Formula

C16H11ClN4OS (C16 H11 ClN4 OS)

Compound Name

4-(3-chlorophenyl)-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-(3-chlorophenyl)-15-thia-2457-tetraazatetracyclo[7.6.0.0^{26}.0^{1014}]pentadeca-1(9)3510(14)-tetraen-8-one

SMILES

O=C(c1c(-n2c3nnc2)sc2c1CCC2)N3c1cccc(Cl)c1

InChI

InChI=1S/C16H11ClN4OS/c17-9-3-1-4-10(7-9)21-14(22)13-11-5-2-6-12(11)23-15(13)20-8-18-19-16(20)21/h1,3-4,7-8H,2,5-6H2

InChI Key

VHLYYPPTZLNLQA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04016437

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.81

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.286

Distribution Coefficient, logD

3.286

Water Solubility, LogSw

-4.03

Polar Surface Area

39.580

Acid Dissociation Constant (pKa)

19.36

Base Dissociation Constant (pKb)

-0.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

8019-5930 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiparasite Library (23996 compounds)

Antiviral Library (67538 compounds)

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

Immunological Library (6760 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Others
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8019-5930 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-5930?
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What is the minimum amount of 8019-5930 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-5930
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-5930
  • 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 8019-5930 available by request