4353-0055 Screening compound: 2-phenyl-4-(2-pyridylsulfanyl)[1]benzofuro[3,2-d]pyrimidine

4353-0055 Screening compound: 2-phenyl-4-(2-pyridylsulfanyl)[1]benzofuro[3,2-d]pyrimidine
4353-0055 Screening compound: 2-phenyl-4-(2-pyridylsulfanyl)[1]benzofuro[3,2-d]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4353-0055
2-phenyl-4-(2-pyridylsulfanyl)[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

4353-0055

Molecular Formula

C21H13N3OS (C21 H13 N3 OS)

Compound Name

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

IUPAC name

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

SMILES

c(cc1)ccc1-c(nc1Sc2ncccc2)nc2c1oc1c2cccc1

InChI

InChI=1S/C21H13N3OS/c1-2-8-14(9-3-1)20-23-18-15-10-4-5-11-16(15)25-19(18)21(24-20)26-17-12-6-7-13-22-17/h1-13H

InChI Key

CZAXKZLQWOGCBT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01578612

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.028

Distribution Coefficient, logD

6.028

Water Solubility, LogSw

-6.43

Polar Surface Area

35.712

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

4.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

4353-0055 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

BRD4 Targeted Library (4534 compounds)

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Nervous system
Agro:
  • Agro
Targets:
  • Others

References: we are preparing a list of scientific research reports with 4353-0055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4353-0055?
Check Price and Availability of 4353-0055, 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 4353-0055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4353-0055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4353-0055
  • 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 4353-0055 available by request