F425-0018 Screening compound: 2-({[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-3H,4H-thieno[3,2-d]pyrimidin-4-one

F425-0018 Screening compound: 2-({[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-3H,4H-thieno[3,2-d]pyrimidin-4-one
F425-0018 Screening compound: 2-({[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-3H,4H-thieno[3,2-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F425-0018
2-({[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}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

F425-0018

Molecular Formula

C17H14N4O4S2 (C17 H14 N4 O4 S2)

Compound Name

2-({[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-3H,4H-thieno[3,2-d]pyrimidin-4-one

IUPAC name

2-({[3-(35-dimethoxyphenyl)-124-oxadiazol-5-yl]methyl}sulfanyl)-3H4H-thieno[32-d]pyrimidin-4-one

SMILES

COc1cc(-c2noc(CSC(NC3=O)=Nc4c3scc4)n2)cc(OC)c1

InChI

InChI=1S/C17H14N4O4S2/c1-23-10-5-9(6-11(7-10)24-2)15-19-13(25-21-15)8-27-17-18-12-3-4-26-14(12)16(22)20-17/h3-7H,8H2,1-2H3,(H,18,20,22)

InChI Key

SQHYMEYIRLSTRE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27127068

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.324

Distribution Coefficient, logD

3.309

Water Solubility, LogSw

-3.79

Polar Surface Area

81.950

Acid Dissociation Constant (pKa)

8.85

Base Dissociation Constant (pKb)

-0.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

F425-0018 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with F425-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F425-0018?
Check Price and Availability of F425-0018, 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 F425-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F425-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F425-0018
  • 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 F425-0018 available by request