3453-1829 Screening compound: N-[2-methyl-6-(propan-2-yl)phenyl]-1-benzofuran-2-carboxamide

3453-1829 Screening compound: N-[2-methyl-6-(propan-2-yl)phenyl]-1-benzofuran-2-carboxamide
3453-1829 Screening compound: N-[2-methyl-6-(propan-2-yl)phenyl]-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3453-1829
N-[2-methyl-6-(propan-2-yl)phenyl]-1-benzofuran-2-carboxamide

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

3453-1829

Molecular Formula

C19H19NO2 (C19 H19 NO2)

Compound Name

N-[2-methyl-6-(propan-2-yl)phenyl]-1-benzofuran-2-carboxamide

IUPAC name

N-[2-methyl-6-(propan-2-yl)phenyl]-1-benzofuran-2-carboxamide

SMILES

CC(C)c(cccc1C)c1NC(c1cc(cccc2)c2o1)=O

InChI

InChI=1S/C19H19NO2/c1-12(2)15-9-6-7-13(3)18(15)20-19(21)17-11-14-8-4-5-10-16(14)22-17/h4-12H,1-3H3,(H,20,21)

InChI Key

PSRVUVUMKSULAL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02217220

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.37

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.444

Distribution Coefficient, logD

4.444

Water Solubility, LogSw

-4.56

Polar Surface Area

30.227

Acid Dissociation Constant (pKa)

11.88

Base Dissociation Constant (pKb)

-1.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

3453-1829 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

Dark Chemical Matter Library (18430 compounds)

STING Agonist Library (5895 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Immune system
Mechanism of action:
  • Epigenetic
Structure:
  • Pool
Targets:
  • Others

References: we are preparing a list of scientific research reports with 3453-1829 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3453-1829?
Check Price and Availability of 3453-1829, 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 3453-1829 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3453-1829
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3453-1829
  • 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 3453-1829 available by request