2766-0248 Screening compound: 1-[(2-oxo-2-phenylethyl)sulfanyl]-4-phenyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

2766-0248 Screening compound: 1-[(2-oxo-2-phenylethyl)sulfanyl]-4-phenyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
2766-0248 Screening compound: 1-[(2-oxo-2-phenylethyl)sulfanyl]-4-phenyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2766-0248
1-[(2-oxo-2-phenylethyl)sulfanyl]-4-phenyl-6,7,8,9-tetrahydro[1]benzothieno[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

2766-0248

Molecular Formula

C25H20N4O2S2 (C25 H20 N4 O2 S2)

Compound Name

1-[(2-oxo-2-phenylethyl)sulfanyl]-4-phenyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

IUPAC name

3-[(2-oxo-2-phenylethyl)sulfanyl]-7-phenyl-16-thia-2457-tetraazatetracyclo[7.7.0.0^{26}.0^{1015}]hexadeca-1(9)3510(15)-tetraen-8-one

SMILES

O=C(CSc(n1-c2c3c(CCCC4)c4s2)nnc1N(c1ccccc1)C3=O)c1ccccc1

InChI

InChI=1S/C25H20N4O2S2/c30-19(16-9-3-1-4-10-16)15-32-25-27-26-24-28(17-11-5-2-6-12-17)22(31)21-18-13-7-8-14-20(18)33-23(21)29(24)25/h1-6,9-12H,7-8,13-15H2

InChI Key

VZCJKIJULXLOBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01557081

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.679

Distribution Coefficient, logD

4.679

Water Solubility, LogSw

-4.83

Polar Surface Area

52.320

Acid Dissociation Constant (pKa)

17.35

Base Dissociation Constant (pKb)

-2.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

2766-0248 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with 2766-0248 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2766-0248?
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What is the minimum amount of 2766-0248 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2766-0248
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2766-0248
  • 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 2766-0248 available by request