D038-0953 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide

D038-0953 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide
D038-0953 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D038-0953
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(6-methyl-1-benzofuran-3-yl)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

D038-0953

Molecular Formula

C19H17NO4 (C19 H17 NO4)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide

SMILES

Cc(cc1)cc2c1c(CC(NCc(cc1)cc3c1OCO3)=O)co2

InChI

InChI=1S/C19H17NO4/c1-12-2-4-15-14(10-22-17(15)6-12)8-19(21)20-9-13-3-5-16-18(7-13)24-11-23-16/h2-7,10H,8-9,11H2,1H3,(H,20,21)

InChI Key

IVJHRAPQXOEZHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04561116

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.455

Distribution Coefficient, logD

3.455

Water Solubility, LogSw

-3.59

Polar Surface Area

51.113

Acid Dissociation Constant (pKa)

14.21

Base Dissociation Constant (pKb)

-0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

D038-0953 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

CNS Annotated Library (688 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D038-0953 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D038-0953?
Check Price and Availability of D038-0953, 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 D038-0953 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D038-0953
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D038-0953
  • 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 D038-0953 available by request