3334-5096 Screening compound: 5-(3,4-dimethoxyphenyl)-3-phenyl-2-sulfanylidene-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-4-one

3334-5096 Screening compound: 5-(3,4-dimethoxyphenyl)-3-phenyl-2-sulfanylidene-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-4-one
3334-5096 Screening compound: 5-(3,4-dimethoxyphenyl)-3-phenyl-2-sulfanylidene-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3334-5096
5-(3,4-dimethoxyphenyl)-3-phenyl-2-sulfanylidene-1H,2H,3H,4H-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

3334-5096

Molecular Formula

C20H16N2O3S2 (C20 H16 N2 O3 S2)

Compound Name

5-(3,4-dimethoxyphenyl)-3-phenyl-2-sulfanylidene-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-4-one

IUPAC name

5-(34-dimethoxyphenyl)-3-phenyl-2-sulfanylidene-1H2H3H4H-thieno[23-d]pyrimidin-4-one

SMILES

COc(ccc(-c1csc(NC(N2c3ccccc3)=S)c1C2=O)c1)c1OC

InChI

InChI=1S/C20H16N2O3S2/c1-24-15-9-8-12(10-16(15)25-2)14-11-27-18-17(14)19(23)22(20(26)21-18)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,21,26)

InChI Key

SWAQRPVESYNOQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01080696

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.715

Distribution Coefficient, logD

3.713

Water Solubility, LogSw

-4.29

Polar Surface Area

41.598

Acid Dissociation Constant (pKa)

9.87

Base Dissociation Constant (pKb)

-11.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

3334-5096 in Drug Discovery

Included in Screening Libraries

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 3334-5096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3334-5096?
Check Price and Availability of 3334-5096, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3334-5096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3334-5096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3334-5096
  • 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 3334-5096 available by request