5227-1316 Screening compound: 3-[(3-methylphenyl)amino]-1,3-dihydro-2-benzofuran-1-one

5227-1316 Screening compound: 3-[(3-methylphenyl)amino]-1,3-dihydro-2-benzofuran-1-one
5227-1316 Screening compound: 3-[(3-methylphenyl)amino]-1,3-dihydro-2-benzofuran-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5227-1316
3-[(3-methylphenyl)amino]-1,3-dihydro-2-benzofuran-1-one

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

5227-1316

Molecular Formula

C15H13NO2 (C15 H13 NO2)

Compound Name

3-[(3-methylphenyl)amino]-1,3-dihydro-2-benzofuran-1-one

IUPAC name

3-[(3-methylphenyl)amino]-13-dihydro-2-benzofuran-1-one

SMILES

Cc1cccc(NC(c2c3cccc2)OC3=O)c1

InChI

InChI=1S/C15H13NO2/c1-10-5-4-6-11(9-10)16-14-12-7-2-3-8-13(12)15(17)18-14/h2-9,14,16H,1H3/t14-/m1/s1

InChI Key

MRLAMJNUROFBRF-CQSZACIVSA-N

MDL Number (MFCD)

MFCD04426975

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

239.27

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.064

Distribution Coefficient, logD

3.064

Water Solubility, LogSw

-3.49

Polar Surface Area

32.448

Acid Dissociation Constant (pKa)

16.88

Base Dissociation Constant (pKb)

7.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.30

5227-1316 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 5227-1316 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5227-1316?
Check Price and Availability of 5227-1316, 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 5227-1316 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5227-1316
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5227-1316
  • 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 5227-1316 available by request