C253-0073 Screening compound: 4-(benzylsulfanyl)[1]benzofuro[3,2-d]pyrimidine

C253-0073 Screening compound: 4-(benzylsulfanyl)[1]benzofuro[3,2-d]pyrimidine
C253-0073 Screening compound: 4-(benzylsulfanyl)[1]benzofuro[3,2-d]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound C253-0073
4-(benzylsulfanyl)[1]benzofuro[3,2-d]pyrimidine

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

C253-0073

Molecular Formula

C17H12N2OS (C17 H12 N2 OS)

Compound Name

4-(benzylsulfanyl)[1]benzofuro[3,2-d]pyrimidine

IUPAC name

6-(benzylsulfanyl)-8-oxa-35-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)351012-hexaene

SMILES

C(c1ccccc1)Sc1ncnc2c1oc1c2cccc1

InChI

InChI=1S/C17H12N2OS/c1-2-6-12(7-3-1)10-21-17-16-15(18-11-19-17)13-8-4-5-9-14(13)20-16/h1-9,11H,10H2

InChI Key

YCBDARXMAVVTDR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00760839

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

292.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.212

Distribution Coefficient, logD

4.212

Water Solubility, LogSw

-4.45

Polar Surface Area

28.813

Acid Dissociation Constant (pKa)

24.37

Base Dissociation Constant (pKb)

3.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

C253-0073 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Antiviral Annotated Library (21441 compounds)

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

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Targets:
  • Kinases
  • Ion Channels

References: we are preparing a list of scientific research reports with C253-0073 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C253-0073?
Check Price and Availability of C253-0073, 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 C253-0073 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C253-0073
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C253-0073
  • 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 C253-0073 available by request