E943-0048 Screening compound: 2-[3-methyl-4-oxoisoxazolo[5,4-d]pyrimidin-5(4H)-yl]-N~1~-(tetrahydro-2-furanylmethyl)acetamide

E943-0048 Screening compound: 2-[3-methyl-4-oxoisoxazolo[5,4-d]pyrimidin-5(4H)-yl]-N~1~-(tetrahydro-2-furanylmethyl)acetamide
E943-0048 Screening compound: 2-[3-methyl-4-oxoisoxazolo[5,4-d]pyrimidin-5(4H)-yl]-N~1~-(tetrahydro-2-furanylmethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E943-0048
2-[3-methyl-4-oxoisoxazolo[5,4-d]pyrimidin-5(4H)-yl]-N~1~-(tetrahydro-2-furanylmethyl)acetamide

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

E943-0048

Molecular Formula

C13H16N4O4 (C13 H16 N4 O4)

Compound Name

2-[3-methyl-4-oxoisoxazolo[5,4-d]pyrimidin-5(4H)-yl]-N~1~-(tetrahydro-2-furanylmethyl)acetamide

IUPAC name

n/a

SMILES

Cc1noc(N=CN2CC(NCC3OCCC3)=O)c1C2=O

InChI

InChI=1S/C13H16N4O4/c1-8-11-12(21-16-8)15-7-17(13(11)19)6-10(18)14-5-9-3-2-4-20-9/h7,9H,2-6H2,1H3,(H,14,18)/t9-/m1/s1

InChI Key

DJVZRGVBDUKYFF-SECBINFHSA-N

MDL Number (MFCD)

MFCD27093562

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

292.29

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-1.034

Distribution Coefficient, logD

-1.034

Water Solubility, LogSw

-0.82

Polar Surface Area

80.906

Acid Dissociation Constant (pKa)

14.61

Base Dissociation Constant (pKb)

3.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.80

E943-0048 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E943-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E943-0048?
Check Price and Availability of E943-0048, 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 E943-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E943-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E943-0048
  • 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 E943-0048 available by request