3350-0182 Screening compound: 5,6-dimethyl-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-3H,4H-thieno[2,3-d]pyrimidin-4-one

3350-0182 Screening compound: 5,6-dimethyl-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-3H,4H-thieno[2,3-d]pyrimidin-4-one
3350-0182 Screening compound: 5,6-dimethyl-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-3H,4H-thieno[2,3-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3350-0182
5,6-dimethyl-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-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

3350-0182

Molecular Formula

C15H19N3O2S2 (C15 H19 N3 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C)sc(N=C(N2)SCC(N3CCCCC3)=O)c1C2=O

InChI

InChI=1S/C15H19N3O2S2/c1-9-10(2)22-14-12(9)13(20)16-15(17-14)21-8-11(19)18-6-4-3-5-7-18/h3-8H2,1-2H3,(H,16,17,20)

InChI Key

KNBQMBZLRGAWIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01942371

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.47

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

2.395

Distribution Coefficient, logD

2.368

Water Solubility, LogSw

-2.57

Polar Surface Area

50.796

Acid Dissociation Constant (pKa)

8.60

Base Dissociation Constant (pKb)

0.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.30

3350-0182 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS MPO Library (28609 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 3350-0182 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3350-0182?
Check Price and Availability of 3350-0182, 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 3350-0182 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3350-0182
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3350-0182
  • 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 3350-0182 available by request