4973-0721 Screening compound: 3-(1-benzofuran-2-amido)benzoic acid

4973-0721 Screening compound: 3-(1-benzofuran-2-amido)benzoic acid
4973-0721 Screening compound: 3-(1-benzofuran-2-amido)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4973-0721
3-(1-benzofuran-2-amido)benzoic acid

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

4973-0721

Molecular Formula

C16H11NO4 (C16 H11 NO4)

Compound Name

3-(1-benzofuran-2-amido)benzoic acid

IUPAC name

3-(1-benzofuran-2-amido)benzoic acid

SMILES

OC(c1cc(NC(c2cc(cccc3)c3o2)=O)ccc1)=O

InChI

InChI=1S/C16H11NO4/c18-15(14-9-10-4-1-2-7-13(10)21-14)17-12-6-3-5-11(8-12)16(19)20/h1-9H,(H,17,18)(H,19,20)

InChI Key

NWXFIDVNZLATSM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02323179

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

281.27

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.100

Distribution Coefficient, logD

1.214

Water Solubility, LogSw

-4.41

Polar Surface Area

60.031

Acid Dissociation Constant (pKa)

4.51

Base Dissociation Constant (pKb)

-1.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

4973-0721 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

Fragments Library (11262 compounds)

RAR (Nuclear receptors) Ligands Library (6524 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
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Structure:
  • Fragments
Targets:
  • Nuclear receptors
  • Phosphatases

References: we are preparing a list of scientific research reports with 4973-0721 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4973-0721?
Check Price and Availability of 4973-0721, 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 4973-0721 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4973-0721
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4973-0721
  • 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 4973-0721 available by request