3228-0073 Screening compound: 1-{5-hydroxy-2-methyl-4-[(morpholin-4-yl)methyl]-1-benzofuran-3-yl}ethan-1-one

3228-0073 Screening compound: 1-{5-hydroxy-2-methyl-4-[(morpholin-4-yl)methyl]-1-benzofuran-3-yl}ethan-1-one
3228-0073 Screening compound: 1-{5-hydroxy-2-methyl-4-[(morpholin-4-yl)methyl]-1-benzofuran-3-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3228-0073
1-{5-hydroxy-2-methyl-4-[(morpholin-4-yl)methyl]-1-benzofuran-3-yl}ethan-1-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

3228-0073

Molecular Formula

C16H19NO4 (C16 H19 NO4)

Compound Name

1-{5-hydroxy-2-methyl-4-[(morpholin-4-yl)methyl]-1-benzofuran-3-yl}ethan-1-one

IUPAC name

1-{5-hydroxy-2-methyl-4-[(morpholin-4-yl)methyl]-1-benzofuran-3-yl}ethan-1-one

SMILES

CC(c(c1c2CN3CCOCC3)c(C)oc1ccc2O)=O

InChI

InChI=1S/C16H19NO4/c1-10(18)15-11(2)21-14-4-3-13(19)12(16(14)15)9-17-5-7-20-8-6-17/h3-4,19H,5-9H2,1-2H3

InChI Key

AUBNUSKWVBCELL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01559196

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

289.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.724

Distribution Coefficient, logD

1.659

Water Solubility, LogSw

-2.07

Polar Surface Area

50.202

Acid Dissociation Constant (pKa)

9.79

Base Dissociation Constant (pKb)

6.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

3228-0073 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Dark Chemical Matter Library (18430 compounds)

Human Kinases Annotated Library (2415 compounds)

STING Agonist Library (5895 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3228-0073 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3228-0073?
Check Price and Availability of 3228-0073, 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 3228-0073 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3228-0073
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3228-0073
  • 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 3228-0073 available by request