4356-0269 Screening compound: 3-carbamoyl-2-phenyl-1-benzofuran-5-yl acetate

4356-0269 Screening compound: 3-carbamoyl-2-phenyl-1-benzofuran-5-yl acetate
4356-0269 Screening compound: 3-carbamoyl-2-phenyl-1-benzofuran-5-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4356-0269
3-carbamoyl-2-phenyl-1-benzofuran-5-yl acetate

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

4356-0269

Molecular Formula

C17H13NO4 (C17 H13 NO4)

Compound Name

3-carbamoyl-2-phenyl-1-benzofuran-5-yl acetate

IUPAC name

3-carbamoyl-2-phenyl-1-benzofuran-5-yl acetate

SMILES

CC(Oc(cc1)cc2c1oc(-c1ccccc1)c2C(N)=O)=O

InChI

InChI=1S/C17H13NO4/c1-10(19)21-12-7-8-14-13(9-12)15(17(18)20)16(22-14)11-5-3-2-4-6-11/h2-9H,1H3,(H2,18,20)

InChI Key

XQJWKSUZYCZAKM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01560046

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.29

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

1.886

Distribution Coefficient, logD

1.886

Water Solubility, LogSw

-2.35

Polar Surface Area

63.303

Acid Dissociation Constant (pKa)

17.94

Base Dissociation Constant (pKb)

4.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

4356-0269 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4356-0269 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4356-0269?
Check Price and Availability of 4356-0269, 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 4356-0269 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4356-0269
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4356-0269
  • 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 4356-0269 available by request