5468-3011 Screening compound: N-[4-(propan-2-yloxy)phenyl]-1-benzofuran-2-carboxamide

5468-3011 Screening compound: N-[4-(propan-2-yloxy)phenyl]-1-benzofuran-2-carboxamide
5468-3011 Screening compound: N-[4-(propan-2-yloxy)phenyl]-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5468-3011
N-[4-(propan-2-yloxy)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

5468-3011

Molecular Formula

C18H17NO3 (C18 H17 NO3)

Compound Name

N-[4-(propan-2-yloxy)phenyl]-1-benzofuran-2-carboxamide

IUPAC name

N-[4-(propan-2-yloxy)phenyl]-1-benzofuran-2-carboxamide

SMILES

CC(C)Oc(cc1)ccc1NC(c1cc(cccc2)c2o1)=O

InChI

InChI=1S/C18H17NO3/c1-12(2)21-15-9-7-14(8-10-15)19-18(20)17-11-13-5-3-4-6-16(13)22-17/h3-12H,1-2H3,(H,19,20)

InChI Key

PSPAWIWVOJWSTF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02959628

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.643

Distribution Coefficient, logD

4.643

Water Solubility, LogSw

-5.19

Polar Surface Area

38.425

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

1.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

5468-3011 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

CNS targets activity set (6557 compounds)

Cardiovascular Library (22201 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 5468-3011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5468-3011?
Check Price and Availability of 5468-3011, 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 5468-3011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5468-3011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5468-3011
  • 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 5468-3011 available by request