E943-0037 Screening compound: 3-methyl-5-[2-(4-methylpiperidino)-2-oxoethyl]isoxazolo[5,4-d]pyrimidin-4(5H)-one

E943-0037 Screening compound: 3-methyl-5-[2-(4-methylpiperidino)-2-oxoethyl]isoxazolo[5,4-d]pyrimidin-4(5H)-one
E943-0037 Screening compound: 3-methyl-5-[2-(4-methylpiperidino)-2-oxoethyl]isoxazolo[5,4-d]pyrimidin-4(5H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E943-0037
3-methyl-5-[2-(4-methylpiperidino)-2-oxoethyl]isoxazolo[5,4-d]pyrimidin-4(5H)-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

E943-0037

Molecular Formula

C14H18N4O3 (C14 H18 N4 O3)

Compound Name

3-methyl-5-[2-(4-methylpiperidino)-2-oxoethyl]isoxazolo[5,4-d]pyrimidin-4(5H)-one

IUPAC name

n/a

SMILES

CC(CC1)CCN1C(CN(C=Nc1c2c(C)no1)C2=O)=O

InChI

InChI=1S/C14H18N4O3/c1-9-3-5-17(6-4-9)11(19)7-18-8-15-13-12(14(18)20)10(2)16-21-13/h8-9H,3-7H2,1-2H3

InChI Key

XLLLHNRHIPCTIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14929064

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

290.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.213

Distribution Coefficient, logD

0.213

Water Solubility, LogSw

-0.55

Polar Surface Area

64.172

Acid Dissociation Constant (pKa)

25.24

Base Dissociation Constant (pKb)

3.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

E943-0037 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with E943-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E943-0037?
Check Price and Availability of E943-0037, 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 E943-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E943-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E943-0037
  • 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 E943-0037 available by request