8016-2456 Screening compound: 6-(2-oxo-2-phenylethyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one

8016-2456 Screening compound: 6-(2-oxo-2-phenylethyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one
8016-2456 Screening compound: 6-(2-oxo-2-phenylethyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-2456
6-(2-oxo-2-phenylethyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-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

8016-2456

Molecular Formula

C19H16N4O2S (C19 H16 N4 O2 S)

Compound Name

6-(2-oxo-2-phenylethyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one

IUPAC name

8-(2-oxo-2-phenylethyl)-10-thia-3568-tetraazatetracyclo[7.7.0.0^{26}.0^{1116}]hexadeca-1(9)2411(16)-tetraen-7-one

SMILES

O=C(CN(c(sc1c2CCCC1)c2-c1ncnn11)C1=O)c1ccccc1

InChI

InChI=1S/C19H16N4O2S/c24-14(12-6-2-1-3-7-12)10-22-18-16(13-8-4-5-9-15(13)26-18)17-20-11-21-23(17)19(22)25/h1-3,6-7,11H,4-5,8-10H2

InChI Key

ZCFGKXBRAYTGAM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05854975

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.367

Distribution Coefficient, logD

3.367

Water Solubility, LogSw

-3.71

Polar Surface Area

53.927

Acid Dissociation Constant (pKa)

16.49

Base Dissociation Constant (pKb)

1.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.32

8016-2456 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8016-2456 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-2456?
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What is the minimum amount of 8016-2456 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-2456
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-2456
  • 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 8016-2456 available by request