E944-0139 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

E944-0139 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
E944-0139 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound E944-0139
N-[2-(3,4-diethoxyphenyl)ethyl]-3-methyl-[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

E944-0139

Molecular Formula

C18H22N4O3 (C18 H22 N4 O3)

Compound Name

N-[2-(3,4-diethoxyphenyl)ethyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

IUPAC name

N-[2-(34-diethoxyphenyl)ethyl]-3-methyl-[12]oxazolo[54-d]pyrimidin-4-amine

SMILES

CCOc(ccc(CCNc1c(c(C)no2)c2ncn1)c1)c1OCC

InChI

InChI=1S/C18H22N4O3/c1-4-23-14-7-6-13(10-15(14)24-5-2)8-9-19-17-16-12(3)22-25-18(16)21-11-20-17/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,19,20,21)

InChI Key

BOZRJTMILMKJMU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14929172

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.464

Distribution Coefficient, logD

2.464

Water Solubility, LogSw

-2.76

Polar Surface Area

67.363

Acid Dissociation Constant (pKa)

16.31

Base Dissociation Constant (pKb)

3.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

E944-0139 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Human Kinases Annotated Library (2415 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with E944-0139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E944-0139?
Check Price and Availability of E944-0139, 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 E944-0139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E944-0139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E944-0139
  • 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 E944-0139 available by request