E943-0149 Screening compound: 3-methyl-5-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one

E943-0149 Screening compound: 3-methyl-5-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one
E943-0149 Screening compound: 3-methyl-5-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E943-0149
3-methyl-5-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one

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

E943-0149

Molecular Formula

C19H18F3N5O3 (C19 H18 F3 N5 O3)

Compound Name

3-methyl-5-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one

IUPAC name

3-methyl-5-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-4H5H-[12]oxazolo[54-d]pyrimidin-4-one

SMILES

Cc1noc(N=CN2CC(N(CC3)CCN3c3cccc(C(F)(F)F)c3)=O)c1C2=O

InChI

InChI=1S/C19H18F3N5O3/c1-12-16-17(30-24-12)23-11-27(18(16)29)10-15(28)26-7-5-25(6-8-26)14-4-2-3-13(9-14)19(20,21)22/h2-4,9,11H,5-8,10H2,1H3

InChI Key

QXULWNYGQUUXHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14929091

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.319

Distribution Coefficient, logD

1.318

Water Solubility, LogSw

-2.12

Polar Surface Area

67.433

Acid Dissociation Constant (pKa)

25.24

Base Dissociation Constant (pKb)

3.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

E943-0149 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with E943-0149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E943-0149?
Check Price and Availability of E943-0149, 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 E943-0149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E943-0149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E943-0149
  • 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 E943-0149 available by request