2969-0326 Screening compound: 3-benzyl-2-(isopropylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

2969-0326 Screening compound: 3-benzyl-2-(isopropylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2969-0326 Screening compound: 3-benzyl-2-(isopropylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2969-0326
3-benzyl-2-(isopropylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-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

2969-0326

Molecular Formula

C20H22N2OS2 (C20 H22 N2 OS2)

Compound Name

3-benzyl-2-(isopropylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

IUPAC name

4-benzyl-5-(propan-2-ylsulfanyl)-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-3-one

SMILES

CC(C)SC(N1Cc2ccccc2)=Nc(sc2c3CCCC2)c3C1=O

InChI

InChI=1S/C20H22N2OS2/c1-13(2)24-20-21-18-17(15-10-6-7-11-16(15)25-18)19(23)22(20)12-14-8-4-3-5-9-14/h3-5,8-9,13H,6-7,10-12H2,1-2H3

InChI Key

QZCBBOLZQGRLQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01557045

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.473

Distribution Coefficient, logD

5.473

Water Solubility, LogSw

-5.35

Polar Surface Area

25.865

Acid Dissociation Constant (pKa)

24.97

Base Dissociation Constant (pKb)

-2.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

2969-0326 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 2969-0326 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2969-0326?
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What is the minimum amount of 2969-0326 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2969-0326
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2969-0326
  • 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 2969-0326 available by request