E944-0154 Screening compound: 1-{4-[4-(3-methylisoxazolo[5,4-d]pyrimidin-4-yl)piperazino]phenyl}-1-ethanone

E944-0154 Screening compound: 1-{4-[4-(3-methylisoxazolo[5,4-d]pyrimidin-4-yl)piperazino]phenyl}-1-ethanone
E944-0154 Screening compound: 1-{4-[4-(3-methylisoxazolo[5,4-d]pyrimidin-4-yl)piperazino]phenyl}-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound E944-0154
1-{4-[4-(3-methylisoxazolo[5,4-d]pyrimidin-4-yl)piperazino]phenyl}-1-ethanone

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

E944-0154

Molecular Formula

C18H19N5O2 (C18 H19 N5 O2)

Compound Name

1-{4-[4-(3-methylisoxazolo[5,4-d]pyrimidin-4-yl)piperazino]phenyl}-1-ethanone

IUPAC name

n/a

SMILES

CC(c(cc1)ccc1N(CC1)CCN1c1ncnc2c1c(C)no2)=O

InChI

InChI=1S/C18H19N5O2/c1-12-16-17(19-11-20-18(16)25-21-12)23-9-7-22(8-10-23)15-5-3-14(4-6-15)13(2)24/h3-6,11H,7-10H2,1-2H3

InChI Key

UVSNOIZUXCIPFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14929180

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.526

Distribution Coefficient, logD

2.526

Water Solubility, LogSw

-2.56

Polar Surface Area

62.700

Acid Dissociation Constant (pKa)

21.21

Base Dissociation Constant (pKb)

3.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

E944-0154 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with E944-0154 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E944-0154?
Check Price and Availability of E944-0154, 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 E944-0154 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E944-0154
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E944-0154
  • 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 E944-0154 available by request