E939-0296 Screening compound: 3-(4-chlorophenyl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

E939-0296 Screening compound: 3-(4-chlorophenyl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
E939-0296 Screening compound: 3-(4-chlorophenyl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-[1,2]oxazolo[5,4-d]pyrimidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound E939-0296
3-(4-chlorophenyl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

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

E939-0296

Molecular Formula

C20H17ClN4OS (C20 H17 ClN4 OS)

Compound Name

3-(4-chlorophenyl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

IUPAC name

3-(4-chlorophenyl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-[12]oxazolo[54-d]pyrimidin-4-amine

SMILES

CSc1ccc(CCNc2c(c(-c(cc3)ccc3Cl)no3)c3ncn2)cc1

InChI

InChI=1S/C20H17ClN4OS/c1-27-16-8-2-13(3-9-16)10-11-22-19-17-18(14-4-6-15(21)7-5-14)25-26-20(17)24-12-23-19/h2-9,12H,10-11H2,1H3,(H,22,23,24)

InChI Key

ULNSPVPTXHIEII-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14928780

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.9

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.151

Distribution Coefficient, logD

5.151

Water Solubility, LogSw

-5.85

Polar Surface Area

52.865

Acid Dissociation Constant (pKa)

17.86

Base Dissociation Constant (pKb)

2.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

E939-0296 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Receptors Annotated Library (5376 compounds)

MCL1 Targeted Library (12200 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E939-0296 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E939-0296?
Check Price and Availability of E939-0296, 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 E939-0296 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E939-0296
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E939-0296
  • 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 E939-0296 available by request