2969-0336 Screening compound: 3-phenyl-2-(propylsulfanyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one

2969-0336 Screening compound: 3-phenyl-2-(propylsulfanyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
2969-0336 Screening compound: 3-phenyl-2-(propylsulfanyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2969-0336
3-phenyl-2-(propylsulfanyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-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

2969-0336

Molecular Formula

C18H18N2OS2 (C18 H18 N2 OS2)

Compound Name

3-phenyl-2-(propylsulfanyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one

IUPAC name

11-phenyl-10-(propylsulfanyl)-7-thia-911-diazatricyclo[6.4.0.0^{26}]dodeca-1(8)2(6)9-trien-12-one

SMILES

CCCSC(N1c2ccccc2)=Nc(sc2c3CCC2)c3C1=O

InChI

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

InChI Key

NAYOMJCDTZTNHB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01557824

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

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.449

Distribution Coefficient, logD

4.449

Water Solubility, LogSw

-4.46

Polar Surface Area

25.620

Acid Dissociation Constant (pKa)

20.09

Base Dissociation Constant (pKb)

0.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

2969-0336 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 2969-0336 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2969-0336?
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What is the minimum amount of 2969-0336 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2969-0336
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2969-0336
  • 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 2969-0336 available by request