E944-0149 Screening compound: 1-{3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl}-4-[3-(trifluoromethyl)phenyl]piperazine

E944-0149 Screening compound: 1-{3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl}-4-[3-(trifluoromethyl)phenyl]piperazine
E944-0149 Screening compound: 1-{3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl}-4-[3-(trifluoromethyl)phenyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E944-0149
1-{3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl}-4-[3-(trifluoromethyl)phenyl]piperazine

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

E944-0149

Molecular Formula

C17H16F3N5O (C17 H16 F3 N5 O)

Compound Name

1-{3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl}-4-[3-(trifluoromethyl)phenyl]piperazine

IUPAC name

1-{3-methyl-[12]oxazolo[54-d]pyrimidin-4-yl}-4-[3-(trifluoromethyl)phenyl]piperazine

SMILES

Cc1noc2c1c(N(CC1)CCN1c1cccc(C(F)(F)F)c1)ncn2

InChI

InChI=1S/C17H16F3N5O/c1-11-14-15(21-10-22-16(14)26-23-11)25-7-5-24(6-8-25)13-4-2-3-12(9-13)17(18,19)20/h2-4,9-10H,5-8H2,1H3

InChI Key

ZIGDEMMKVGPSNR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14929176

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.663

Distribution Coefficient, logD

3.663

Water Solubility, LogSw

-4.12

Polar Surface Area

48.873

Acid Dissociation Constant (pKa)

21.21

Base Dissociation Constant (pKb)

3.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

E944-0149 in Drug Discovery

Included in Screening Libraries

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

STING Agonist Library (5895 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with E944-0149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E944-0149?
Check Price and Availability of E944-0149, 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 E944-0149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E944-0149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E944-0149
  • 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 E944-0149 available by request