8016-0688 Screening compound: 2-{1-[2-(2-benzoylanilino)-2-oxoethyl]cyclopentyl}acetic acid

8016-0688 Screening compound: 2-{1-[2-(2-benzoylanilino)-2-oxoethyl]cyclopentyl}acetic acid
8016-0688 Screening compound: 2-{1-[2-(2-benzoylanilino)-2-oxoethyl]cyclopentyl}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-0688
2-{1-[2-(2-benzoylanilino)-2-oxoethyl]cyclopentyl}acetic 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

8016-0688

Molecular Formula

C22H23NO4 (C22 H23 NO4)

Compound Name

2-{1-[2-(2-benzoylanilino)-2-oxoethyl]cyclopentyl}acetic acid

IUPAC name

2-(1-{[(2-benzoylphenyl)carbamoyl]methyl}cyclopentyl)acetic acid

SMILES

OC(CC1(CC(Nc(cccc2)c2C(c2ccccc2)=O)=O)CCCC1)=O

InChI

InChI=1S/C22H23NO4/c24-19(14-22(15-20(25)26)12-6-7-13-22)23-18-11-5-4-10-17(18)21(27)16-8-2-1-3-9-16/h1-5,8-11H,6-7,12-15H2,(H,23,24)(H,25,26)

InChI Key

BPKGDJAOSNWZPG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05260040

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.020

Distribution Coefficient, logD

0.484

Water Solubility, LogSw

-3.65

Polar Surface Area

64.827

Acid Dissociation Constant (pKa)

4.87

Base Dissociation Constant (pKb)

-2.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.82

8016-0688 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with 8016-0688 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-0688?
Check Price and Availability of 8016-0688, 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 8016-0688 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-0688
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-0688
  • 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 8016-0688 available by request