2969-0162 Screening compound: 2-(ethylsulfanyl)-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

2969-0162 Screening compound: 2-(ethylsulfanyl)-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2969-0162 Screening compound: 2-(ethylsulfanyl)-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2969-0162
2-(ethylsulfanyl)-3-phenyl-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

2969-0162

Molecular Formula

C18H18N2OS2 (C18 H18 N2 OS2)

Compound Name

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

IUPAC name

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

SMILES

CCSC(N1c2ccccc2)=Nc(sc2c3CCCC2)c3C1=O

InChI

InChI=1S/C18H18N2OS2/c1-2-22-18-19-16-15(13-10-6-7-11-14(13)23-16)17(21)20(18)12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3

InChI Key

HJNRFAARVFDRRL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00519051

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.488

Distribution Coefficient, logD

4.488

Water Solubility, LogSw

-4.48

Polar Surface Area

25.254

Acid Dissociation Constant (pKa)

24.97

Base Dissociation Constant (pKb)

0.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

2969-0162 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 2969-0162 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2969-0162?
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What is the minimum amount of 2969-0162 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2969-0162
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2969-0162
  • 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 2969-0162 available by request