3325-0012 Screening compound: 5,6-dimethyl-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3H,4H-thieno[2,3-d]pyrimidin-4-one

3325-0012 Screening compound: 5,6-dimethyl-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3H,4H-thieno[2,3-d]pyrimidin-4-one
3325-0012 Screening compound: 5,6-dimethyl-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3H,4H-thieno[2,3-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3325-0012
5,6-dimethyl-2-{[2-oxo-2-(pyrrolidin-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

3325-0012

Molecular Formula

C14H17N3O2S2 (C14 H17 N3 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C)sc(N=C(N2)SCC(N3CCCC3)=O)c1C2=O

InChI

InChI=1S/C14H17N3O2S2/c1-8-9(2)21-13-11(8)12(19)15-14(16-13)20-7-10(18)17-5-3-4-6-17/h3-7H2,1-2H3,(H,15,16,19)

InChI Key

BUKYRSNOIIOZHX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01925726

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.44

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

2.176

Distribution Coefficient, logD

2.149

Water Solubility, LogSw

-2.53

Polar Surface Area

51.162

Acid Dissociation Constant (pKa)

8.60

Base Dissociation Constant (pKb)

0.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

3325-0012 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Therapeutical Diversity Annotated Library (7563 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 3325-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3325-0012?
Check Price and Availability of 3325-0012, 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 3325-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3325-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3325-0012
  • 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 3325-0012 available by request