3342-1797 Screening compound: ethyl 2-{[5,6-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate

3342-1797 Screening compound: ethyl 2-{[5,6-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
3342-1797 Screening compound: ethyl 2-{[5,6-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3342-1797
ethyl 2-{[5,6-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate

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

3342-1797

Molecular Formula

C15H18N2O3S2 (C15 H18 N2 O3 S2)

Compound Name

ethyl 2-{[5,6-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate

IUPAC name

ethyl 2-{[56-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3H4H-thieno[23-d]pyrimidin-2-yl]sulfanyl}acetate

SMILES

CCOC(CSC(N1CC=C)=Nc(sc(C)c2C)c2C1=O)=O

InChI

InChI=1S/C15H18N2O3S2/c1-5-7-17-14(19)12-9(3)10(4)22-13(12)16-15(17)21-8-11(18)20-6-2/h5H,1,6-8H2,2-4H3

InChI Key

GIRCMTHCUBUQKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00519047

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.133

Distribution Coefficient, logD

3.133

Water Solubility, LogSw

-3.04

Polar Surface Area

46.354

Acid Dissociation Constant (pKa)

27.76

Base Dissociation Constant (pKb)

-1.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

3342-1797 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Purinergic Library (3321 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Cardiovascular
  • Metabolic
Agro:
  • Agro
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 3342-1797 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3342-1797?
Check Price and Availability of 3342-1797, 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 3342-1797 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3342-1797
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3342-1797
  • 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 3342-1797 available by request