F847-0335 Screening compound: 3-ethyl-7-(4-methylphenyl)-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3H,4H-thieno[3,2-d]pyrimidin-4-one

F847-0335 Screening compound: 3-ethyl-7-(4-methylphenyl)-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3H,4H-thieno[3,2-d]pyrimidin-4-one
F847-0335 Screening compound: 3-ethyl-7-(4-methylphenyl)-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3H,4H-thieno[3,2-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F847-0335
3-ethyl-7-(4-methylphenyl)-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3H,4H-thieno[3,2-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

F847-0335

Molecular Formula

C21H23N3O2S2 (C21 H23 N3 O2 S2)

Compound Name

3-ethyl-7-(4-methylphenyl)-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3H,4H-thieno[3,2-d]pyrimidin-4-one

IUPAC name

3-ethyl-7-(4-methylphenyl)-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3H4H-thieno[32-d]pyrimidin-4-one

SMILES

CCN(C1=O)C(SCC(N2CCCC2)=O)=Nc2c1scc2-c1ccc(C)cc1

InChI

InChI=1S/C21H23N3O2S2/c1-3-24-20(26)19-18(16(12-27-19)15-8-6-14(2)7-9-15)22-21(24)28-13-17(25)23-10-4-5-11-23/h6-9,12H,3-5,10-11,13H2,1-2H3

InChI Key

KSDVRDFQMHBUAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16637375

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.323

Distribution Coefficient, logD

4.323

Water Solubility, LogSw

-4.20

Polar Surface Area

41.021

Acid Dissociation Constant (pKa)

28.32

Base Dissociation Constant (pKb)

-0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

F847-0335 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F847-0335 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F847-0335?
Check Price and Availability of F847-0335, 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 F847-0335 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F847-0335
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F847-0335
  • 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 F847-0335 available by request